N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C17H11ClFN3O2S — CID 99625926

IUPACN-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C17H11ClFN3O2S/c18-9-5-6-11(15(20)23)13(7-9)22-16(24)14-8-21-17(25-14)10-3-1-2-4-12(10)19/h1-8H,(H2,20,23)(H,22,24)
InChIKeyINJBQIQSLBLHLG-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.95
Rot. Bonds4

About N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 99625926) has the molecular formula C17H11ClFN3O2S and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID99625926
Molecular FormulaC17H11ClFN3O2S
Molecular Weight375.81 g/mol
Exact Mass375.02
IUPAC NameN-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C17H11ClFN3O2S/c18-9-5-6-11(15(20)23)13(7-9)22-16(24)14-8-21-17(25-14)10-3-1-2-4-12(10)19/h1-8H,(H2,20,23)(H,22,24)
InChIKeyINJBQIQSLBLHLG-UHFFFAOYSA-N
XLogP3.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667
2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide
CID 122514095
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119170175
2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 141271011
ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
CID 97079223
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
CID 133061134
N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 99625926) is N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is INJBQIQSLBLHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2S/c18-9-5-6-11(15(20)23)13(7-9)22-16(24)14-8-21-17(25-14)10-3-1-2-4-12(10)19/h1-8H,(H2,20,23)(H,22,24).
What are the key properties of N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99625926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).