N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

C18H14ClN3O2S — CID 46479944

IUPACN-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-11(23)20-14-5-7-15(8-6-14)21-17(24)16-10-25-18(22-16)12-3-2-4-13(19)9-12/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyHMDOBSFEEYCAPS-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.67
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46479944) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID46479944
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-11(23)20-14-5-7-15(8-6-14)21-17(24)16-10-25-18(22-16)12-3-2-4-13(19)9-12/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyHMDOBSFEEYCAPS-UHFFFAOYSA-N
XLogP4.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 166380786
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46827271
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 112795184
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119457021
2-(3-chlorophenyl)-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55978480
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119220176
2-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 78810356

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 46479944) is N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HMDOBSFEEYCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-11(23)20-14-5-7-15(8-6-14)21-17(24)16-10-25-18(22-16)12-3-2-4-13(19)9-12/h2-10H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46479944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).