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

C15H15N3O2S — CID 3236249

IUPACN-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H15N3O2S/c1-17(10-11-5-3-2-4-6-11)13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-6,9H,7-8,10H2,1H3
InChIKeyFFSFSAKQHCBAMQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.62
Rot. Bonds3

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

N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3236249) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3236249
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H15N3O2S/c1-17(10-11-5-3-2-4-6-11)13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-6,9H,7-8,10H2,1H3
InChIKeyFFSFSAKQHCBAMQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3236249) is N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FFSFSAKQHCBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-17(10-11-5-3-2-4-6-11)13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-6,9H,7-8,10H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.62, 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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3236249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).