2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C18H11ClFN3OS — CID 56515004

IUPAC2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESN#CC(NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1F
InChIInChI=1S/C18H11ClFN3OS/c19-12-5-3-4-11(8-12)18-23-16(10-25-18)17(24)22-15(9-21)13-6-1-2-7-14(13)20/h1-8,10,15H,(H,22,24)
InChIKeyXTQQIZNXXFZDFV-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.60
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56515004) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56515004
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC Name2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESN#CC(NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1F
InChIInChI=1S/C18H11ClFN3OS/c19-12-5-3-4-11(8-12)18-23-16(10-25-18)17(24)22-15(9-21)13-6-1-2-7-14(13)20/h1-8,10,15H,(H,22,24)
InChIKeyXTQQIZNXXFZDFV-UHFFFAOYSA-N
XLogP4.60
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 56784288
(3S)-3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid;(3S)-3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 159352052
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
N-[cyano-(2,4-difluorophenyl)methyl]-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 56585491
2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
CID 47084109
(2S)-3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94217571
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 112795184
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119220176
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 95145000
2-(3-chlorophenyl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 86933073
3-(2,4-dichlorophenyl)-3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 71240327

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 56515004) is 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is N#CC(NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1F.
What is the InChIKey of 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XTQQIZNXXFZDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-12-5-3-4-11(8-12)18-23-16(10-25-18)17(24)22-15(9-21)13-6-1-2-7-14(13)20/h1-8,10,15H,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56515004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).