2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C16H9Cl2FN2OS — CID 2743991

IUPAC2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H9Cl2FN2OS/c17-12-3-1-2-11(14(12)18)16-21-13(8-23-16)15(22)20-10-6-4-9(19)5-7-10/h1-8H,(H,20,22)
InChIKeyNZIAQPQKZWVKQD-UHFFFAOYSA-N
MW367.23 g/mol
LogP5.51
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 2743991) has the molecular formula C16H9Cl2FN2OS and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID2743991
Molecular FormulaC16H9Cl2FN2OS
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H9Cl2FN2OS/c17-12-3-1-2-11(14(12)18)16-21-13(8-23-16)15(22)20-10-6-4-9(19)5-7-10/h1-8H,(H,20,22)
InChIKeyNZIAQPQKZWVKQD-UHFFFAOYSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 71239753
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595351
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56507019
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 2743991) is 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1csc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NZIAQPQKZWVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2OS/c17-12-3-1-2-11(14(12)18)16-21-13(8-23-16)15(22)20-10-6-4-9(19)5-7-10/h1-8H,(H,20,22).
What are the key properties of 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2743991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).