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

C17H19N3O2S — CID 4688002

IUPACN-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-2-3-9-19(13-7-5-4-6-8-13)15(21)14-12-18-17-20(16(14)22)10-11-23-17/h4-8,12H,2-3,9-11H2,1H3
InChIKeyPQSPUXUAVQYJEE-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.80
Rot. Bonds5

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

N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4688002) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4688002
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-2-3-9-19(13-7-5-4-6-8-13)15(21)14-12-18-17-20(16(14)22)10-11-23-17/h4-8,12H,2-3,9-11H2,1H3
InChIKeyPQSPUXUAVQYJEE-UHFFFAOYSA-N
XLogP2.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4688002) is N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1.
What is the InChIKey of N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PQSPUXUAVQYJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-3-9-19(13-7-5-4-6-8-13)15(21)14-12-18-17-20(16(14)22)10-11-23-17/h4-8,12H,2-3,9-11H2,1H3.
What are the key properties of N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4688002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).