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

C10H7ClN2OS — CID 694503

IUPAC3-chloro-5-phenyl-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1ccccc1
InChIInChI=1S/C10H7ClN2OS/c11-9-7(10(12)14)8(15-13-9)6-4-2-1-3-5-6/h1-5H,(H2,12,14)
InChIKeyRCHYXCIEWHPBJW-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.56
Rot. Bonds2

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

3-chloro-5-phenyl-1,2-thiazole-4-carboxamide (PubChem CID 694503) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-phenyl-1,2-thiazole-4-carboxamide
PubChem CID694503
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name3-chloro-5-phenyl-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1ccccc1
InChIInChI=1S/C10H7ClN2OS/c11-9-7(10(12)14)8(15-13-9)6-4-2-1-3-5-6/h1-5H,(H2,12,14)
InChIKeyRCHYXCIEWHPBJW-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 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide (CID 694503) is 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide is NC(=O)c1c(Cl)nsc1-c1ccccc1.
What is the InChIKey of 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide?
The InChIKey is RCHYXCIEWHPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-9-7(10(12)14)8(15-13-9)6-4-2-1-3-5-6/h1-5H,(H2,12,14).
What are the key properties of 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide?
3-chloro-5-phenyl-1,2-thiazole-4-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 3-chloro-5-phenyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 694503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).