N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

C15H12N4O3S — CID 135457087

IUPACN-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2snc3c(=O)[nH]c(C)nc23)cc1
InChIInChI=1S/C15H12N4O3S/c1-7(20)9-3-5-10(6-4-9)18-15(22)13-11-12(19-23-13)14(21)17-8(2)16-11/h3-6H,1-2H3,(H,18,22)(H,16,17,21)
InChIKeyDAMUCZHGAFTWTI-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.14
Rot. Bonds3

About N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (PubChem CID 135457087) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
PubChem CID135457087
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2snc3c(=O)[nH]c(C)nc23)cc1
InChIInChI=1S/C15H12N4O3S/c1-7(20)9-3-5-10(6-4-9)18-15(22)13-11-12(19-23-13)14(21)17-8(2)16-11/h3-6H,1-2H3,(H,18,22)(H,16,17,21)
InChIKeyDAMUCZHGAFTWTI-UHFFFAOYSA-N
XLogP2.14
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135495828
5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135495824
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide
CID 3338737
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
N-(4-acetylphenyl)thiadiazole-5-carboxamide
CID 47259424
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410
2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 136890119
N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669948
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (CID 135457087) is N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2snc3c(=O)[nH]c(C)nc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The InChIKey is DAMUCZHGAFTWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-7(20)9-3-5-10(6-4-9)18-15(22)13-11-12(19-23-13)14(21)17-8(2)16-11/h3-6H,1-2H3,(H,18,22)(H,16,17,21).
What are the key properties of N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 135457087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).