4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide

C17H16Cl2FN3O2S — CID 1463102

IUPAC4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(CN(C(=O)c1nsc(Cl)c1Cl)c1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C17H16Cl2FN3O2S/c18-14-15(22-26-16(14)19)17(25)23(12-7-3-4-10(20)8-12)9-13(24)21-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,21,24)
InChIKeyORPUYBNVCZPXJZ-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.29
Rot. Bonds5

About 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide (PubChem CID 1463102) has the molecular formula C17H16Cl2FN3O2S and a molecular weight of 416.31 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide
PubChem CID1463102
Molecular FormulaC17H16Cl2FN3O2S
Molecular Weight416.31 g/mol
Exact Mass415.03
IUPAC Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(CN(C(=O)c1nsc(Cl)c1Cl)c1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C17H16Cl2FN3O2S/c18-14-15(22-26-16(14)19)17(25)23(12-7-3-4-10(20)8-12)9-13(24)21-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,21,24)
InChIKeyORPUYBNVCZPXJZ-UHFFFAOYSA-N
XLogP4.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-N-(3-chloro-4-fluorophenyl)isothiazole-3-carboxamide
CID 2747396
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(3-chloro-4-fluoro-phenyl)-cyclopentylcarbamoylmethyl-amide]
CID 3179781
4,5-Dichloro-isothiazole-3-carboxylic acid (4-fluoro-phenyl)-amide
CID 750407
4,5-Dichloro-isothiazole-3-carboxylic acid cyclopentylcarbamoylmethyl-p-tolyl-amide
CID 1463084
4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide
CID 1463085
4,5-Dichloro-isothiazole-3-carboxylic acid cyclopentylcarbamoylmethyl-(4-fluoro-phenyl)-amide
CID 1463103
4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide
CID 750393
4,5-dichloro-N-(4-iodophenyl)-3-isothiazolecarboxamide
CID 1289877
4-amino-5-N-(3-chloro-4-fluorophenyl)-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3180025
N-phenyl-4,5-dichloroisothiazole-3-carboxamide
CID 12155610
4,5-Dichloro-N-{4-[(E)-phenyldiazenyl]phenyl}-1,2-thiazole-3-carboxamide
CID 138377180
4-amino-5-N-(3-chloro-4-fluorophenyl)-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 1156223

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide (CID 1463102) is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide is O=C(CN(C(=O)c1nsc(Cl)c1Cl)c1cccc(F)c1)NC1CCCC1.
What is the InChIKey of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is ORPUYBNVCZPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2S/c18-14-15(22-26-16(14)19)17(25)23(12-7-3-4-10(20)8-12)9-13(24)21-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,21,24).
What are the key properties of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 416.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1463102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).