1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

C13H10ClN5OS — CID 6463933

IUPAC1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1Cl
InChIInChI=1S/C13H10ClN5OS/c1-8-11(12(20)16-13-15-6-7-21-13)17-18-19(8)10-5-3-2-4-9(10)14/h2-7H,1H3,(H,15,16,20)
InChIKeyGUUXXKKMRSFZKY-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 6463933) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID6463933
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1Cl
InChIInChI=1S/C13H10ClN5OS/c1-8-11(12(20)16-13-15-6-7-21-13)17-18-19(8)10-5-3-2-4-9(10)14/h2-7H,1H3,(H,15,16,20)
InChIKeyGUUXXKKMRSFZKY-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (CID 6463933) is 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is Cc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is GUUXXKKMRSFZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c1-8-11(12(20)16-13-15-6-7-21-13)17-18-19(8)10-5-3-2-4-9(10)14/h2-7H,1H3,(H,15,16,20).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 319.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 6463933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).