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

C9H11N5OS — CID 86789668

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C)n(C)n1
InChIInChI=1S/C9H11N5OS/c1-5-7(16-4-10-5)8(15)12-9-11-6(2)13-14(9)3/h4H,1-3H3,(H,11,12,13,15)
InChIKeyOZFUOXSDXSYZQH-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.14
Rot. Bonds2

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

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 86789668) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID86789668
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C)n(C)n1
InChIInChI=1S/C9H11N5OS/c1-5-7(16-4-10-5)8(15)12-9-11-6(2)13-14(9)3/h4H,1-3H3,(H,11,12,13,15)
InChIKeyOZFUOXSDXSYZQH-UHFFFAOYSA-N
XLogP1.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 86789668) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2scnc2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OZFUOXSDXSYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-7(16-4-10-5)8(15)12-9-11-6(2)13-14(9)3/h4H,1-3H3,(H,11,12,13,15).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86789668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).