N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide

C18H14N2O2S — CID 18197950

IUPACN-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H14N2O2S/c1-12(21)14-8-5-9-15(10-14)19-17(22)16-11-23-18(20-16)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,22)
InChIKeySYYQCZGCJUWZDZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.26
Rot. Bonds4

About N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 18197950) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID18197950
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H14N2O2S/c1-12(21)14-8-5-9-15(10-14)19-17(22)16-11-23-18(20-16)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,22)
InChIKeySYYQCZGCJUWZDZ-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38823864
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 86867681
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 18197950) is N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is SYYQCZGCJUWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-12(21)14-8-5-9-15(10-14)19-17(22)16-11-23-18(20-16)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18197950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).