2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide

C18H12ClN5OS — CID 49322472

IUPAC2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C18H12ClN5OS/c19-15-4-2-1-3-14(15)18-21-9-16(26-18)17(25)23-12-5-7-13(8-6-12)24-11-20-10-22-24/h1-11H,(H,23,25)
InChIKeyABQRRCFAGUDMAE-UHFFFAOYSA-N
MW381.85 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 49322472) has the molecular formula C18H12ClN5OS and a molecular weight of 381.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID49322472
Molecular FormulaC18H12ClN5OS
Molecular Weight381.85 g/mol
Exact Mass381.05
IUPAC Name2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C18H12ClN5OS/c19-15-4-2-1-3-14(15)18-21-9-16(26-18)17(25)23-12-5-7-13(8-6-12)24-11-20-10-22-24/h1-11H,(H,23,25)
InChIKeyABQRRCFAGUDMAE-UHFFFAOYSA-N
XLogP4.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 49322472) is 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(-n2cncn2)cc1)c1cnc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ABQRRCFAGUDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5OS/c19-15-4-2-1-3-14(15)18-21-9-16(26-18)17(25)23-12-5-7-13(8-6-12)24-11-20-10-22-24/h1-11H,(H,23,25).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49322472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).