4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole

C7H8N4S — CID 65168253

IUPAC4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1nc(-n2cncn2)sc1C
InChIInChI=1S/C7H8N4S/c1-5-6(2)12-7(10-5)11-4-8-3-9-11/h3-4H,1-2H3
InChIKeyQGQJVQHXKKLNRS-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.34
Rot. Bonds1

About 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole

4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole (PubChem CID 65168253) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
PubChem CID65168253
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1nc(-n2cncn2)sc1C
InChIInChI=1S/C7H8N4S/c1-5-6(2)12-7(10-5)11-4-8-3-9-11/h3-4H,1-2H3
InChIKeyQGQJVQHXKKLNRS-UHFFFAOYSA-N
XLogP1.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole (CID 65168253) is 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole is Cc1nc(-n2cncn2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The InChIKey is QGQJVQHXKKLNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-6(2)12-7(10-5)11-4-8-3-9-11/h3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole has a molecular weight of 180.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 65168253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).