4-chloro-3-phenyl-1,2-thiazole-5-carboxamide

C10H7ClN2OS — CID 18473866

IUPAC4-chloro-3-phenyl-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1snc(-c2ccccc2)c1Cl
InChIInChI=1S/C10H7ClN2OS/c11-7-8(6-4-2-1-3-5-6)13-15-9(7)10(12)14/h1-5H,(H2,12,14)
InChIKeyXJWGKAGXQVCRSF-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.56
Rot. Bonds2

About 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide

4-chloro-3-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 18473866) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-phenyl-1,2-thiazole-5-carboxamide
PubChem CID18473866
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name4-chloro-3-phenyl-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1snc(-c2ccccc2)c1Cl
InChIInChI=1S/C10H7ClN2OS/c11-7-8(6-4-2-1-3-5-6)13-15-9(7)10(12)14/h1-5H,(H2,12,14)
InChIKeyXJWGKAGXQVCRSF-UHFFFAOYSA-N
XLogP2.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide (CID 18473866) is 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide is NC(=O)c1snc(-c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is XJWGKAGXQVCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-7-8(6-4-2-1-3-5-6)13-15-9(7)10(12)14/h1-5H,(H2,12,14).
What are the key properties of 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide?
4-chloro-3-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 238.70 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 18473866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).