N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide

C10H7ClN2OS — CID 62046847

IUPACN-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cscn1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-2-4-8(7)13-10(14)9-5-15-6-12-9/h1-6H,(H,13,14)
InChIKeyPSULIJBAVGPMNZ-UHFFFAOYSA-N
MW238.70 g/mol
LogP3.05
Rot. Bonds2

About N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62046847) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62046847
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC NameN-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cscn1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-2-4-8(7)13-10(14)9-5-15-6-12-9/h1-6H,(H,13,14)
InChIKeyPSULIJBAVGPMNZ-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 62046847) is N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1Cl)c1cscn1.
What is the InChIKey of N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PSULIJBAVGPMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-7-3-1-2-4-8(7)13-10(14)9-5-15-6-12-9/h1-6H,(H,13,14).
What are the key properties of N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 238.70 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62046847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).