N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

C17H16N4O3S — CID 53167721

IUPACN-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1snc2c(=O)n(C3CC3)c(=O)[nH]c12
InChIInChI=1S/C17H16N4O3S/c1-20(9-10-5-3-2-4-6-10)16(23)14-12-13(19-25-14)15(22)21(11-7-8-11)17(24)18-12/h2-6,11H,7-9H2,1H3,(H,18,24)
InChIKeyYTVSYQDAYSZVDJ-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.75
Rot. Bonds4

About N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (PubChem CID 53167721) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
PubChem CID53167721
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1snc2c(=O)n(C3CC3)c(=O)[nH]c12
InChIInChI=1S/C17H16N4O3S/c1-20(9-10-5-3-2-4-6-10)16(23)14-12-13(19-25-14)15(22)21(11-7-8-11)17(24)18-12/h2-6,11H,7-9H2,1H3,(H,18,24)
InChIKeyYTVSYQDAYSZVDJ-UHFFFAOYSA-N
XLogP1.75
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-N,2,3,5-tetramethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23766608
N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37314856
3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798361
N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134082483
2-[benzyl(methyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270852
N-benzyl-N,5-dimethyl-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23793202
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,2-dimethylpyrrole-3-carboxamide
CID 134082484
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione
CID 18124231

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (CID 53167721) is N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1snc2c(=O)n(C3CC3)c(=O)[nH]c12.
What is the InChIKey of N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The InChIKey is YTVSYQDAYSZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-20(9-10-5-3-2-4-6-10)16(23)14-12-13(19-25-14)15(22)21(11-7-8-11)17(24)18-12/h2-6,11H,7-9H2,1H3,(H,18,24).
What are the key properties of N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53167721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).