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

C8H10N4S — CID 68969899

IUPAC2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2nncn2C)s1
InChIInChI=1S/C8H10N4S/c1-5-7(13-6(2)10-5)8-11-9-4-12(8)3/h4H,1-3H3
InChIKeyOGAAYTZKAYLNDJ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.56
Rot. Bonds1

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

2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 68969899) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID68969899
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2nncn2C)s1
InChIInChI=1S/C8H10N4S/c1-5-7(13-6(2)10-5)8-11-9-4-12(8)3/h4H,1-3H3
InChIKeyOGAAYTZKAYLNDJ-UHFFFAOYSA-N
XLogP1.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole (CID 68969899) is 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole is Cc1nc(C)c(-c2nncn2C)s1.
What is the InChIKey of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is OGAAYTZKAYLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-7(13-6(2)10-5)8-11-9-4-12(8)3/h4H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 194.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 68969899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).