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

C16H12N4O2S — CID 60529832

IUPACN-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C16H12N4O2S/c1-10(21)11-5-2-3-6-12(11)19-15(22)13-9-23-16(20-13)14-17-7-4-8-18-14/h2-9H,1H3,(H,19,22)
InChIKeyZSZJUWHGVDWMEC-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.06
Rot. Bonds4

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

N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 60529832) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID60529832
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C16H12N4O2S/c1-10(21)11-5-2-3-6-12(11)19-15(22)13-9-23-16(20-13)14-17-7-4-8-18-14/h2-9H,1H3,(H,19,22)
InChIKeyZSZJUWHGVDWMEC-UHFFFAOYSA-N
XLogP3.06
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86821917
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55873301
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60523451
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085227
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55874614
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 60529832) is N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is CC(=O)c1ccccc1NC(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZSZJUWHGVDWMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-10(21)11-5-2-3-6-12(11)19-15(22)13-9-23-16(20-13)14-17-7-4-8-18-14/h2-9H,1H3,(H,19,22).
What are the key properties of N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60529832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).