N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H13N3O2S — CID 3591992

IUPACN-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N3O2S/c1-17(10-11-5-3-2-4-6-11)13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-9H,10H2,1H3
InChIKeyUXBJPVFYWXTSQB-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.03
Rot. Bonds3

About N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3591992) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3591992
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N3O2S/c1-17(10-11-5-3-2-4-6-11)13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-9H,10H2,1H3
InChIKeyUXBJPVFYWXTSQB-UHFFFAOYSA-N
XLogP2.03
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235738
6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3241157
3-Benzyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245315
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
3-methyl-5-oxo-N-(2-phenylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4182430
3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5204342
6-[(4-Benzylpiperazino)carbonyl]-2-(dipropylamino)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20942916
5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4458479
7-[[Bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4782338
N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235658
N-benzyl-N-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4150639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3591992) is N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UXBJPVFYWXTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-17(10-11-5-3-2-4-6-11)13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3591992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).