N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

C13H11ClN2OS — CID 870978

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CC1
InChIInChI=1S/C13H11ClN2OS/c14-10-5-3-8(4-6-10)11-7-18-13(15-11)16-12(17)9-1-2-9/h3-7,9H,1-2H2,(H,15,16,17)
InChIKeyOWAZFELKAZDXHQ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.81
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 870978) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID870978
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CC1
InChIInChI=1S/C13H11ClN2OS/c14-10-5-3-8(4-6-10)11-7-18-13(15-11)16-12(17)9-1-2-9/h3-7,9H,1-2H2,(H,15,16,17)
InChIKeyOWAZFELKAZDXHQ-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 599553
3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 697363
4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
2-Cinnamamido-4-phenylthiazole
CID 690181
N1-(4-(4-chlorophenyl)thiazol-2-yl)benzene-1,4-diamine
CID 672872
2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2118106
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 870978) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CC1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is OWAZFELKAZDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-10-5-3-8(4-6-10)11-7-18-13(15-11)16-12(17)9-1-2-9/h3-7,9H,1-2H2,(H,15,16,17).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 278.76 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 870978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).