3-(1,3-thiazol-2-yl)-4H-1,2,4-triazole
C₅H₄N₄S·152.180 g/mol·CID 57116692
IUPAC: 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
Also known as: 1340241-97-5, RefChem:489290, 842-033-0, 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole (+8 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
152.180g/mol
Exact Mass
152.015667Da
Monoisotopic Mass
152.015667Da
XLogP
0.7
Polar Surface Area
82.7Ų
Complexity
120
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 152.2 g/mol
MW ≤ 500
✓ 0.7
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H303May be harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₄N₄S
3,7-dihydropurine-6-thione
CID 667490 · 152.2 g/mol
1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 135445058 · 152.2 g/mol
3,7-dihydropurine-2-thione
CID 3015569 · 152.2 g/mol
5-thiophen-2-yl-2H-tetrazole
CID 235702 · 152.2 g/mol
[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 350611 · 152.2 g/mol
5-thiophen-3-yl-2H-tetrazole
CID 542538 · 152.2 g/mol
7,9-dihydropurine-8-thione
CID 4265275 · 152.2 g/mol
6-amino-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 2822202 · 152.2 g/mol