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

C17H19N3O2S — CID 4150639

IUPACN-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H19N3O2S/c1-12(2)20(11-13-6-4-3-5-7-13)16(22)14-10-18-17-19(15(14)21)8-9-23-17/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyGBGKBFVAWIFLDF-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.40
Rot. Bonds4

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

N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4150639) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4150639
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H19N3O2S/c1-12(2)20(11-13-6-4-3-5-7-13)16(22)14-10-18-17-19(15(14)21)8-9-23-17/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyGBGKBFVAWIFLDF-UHFFFAOYSA-N
XLogP2.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4150639) is N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GBGKBFVAWIFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(2)20(11-13-6-4-3-5-7-13)16(22)14-10-18-17-19(15(14)21)8-9-23-17/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4150639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).