5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H19N3O2S — CID 51564211

IUPAC5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC[C@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H19N3O2S/c1-3-7-12(2)20-16(22)14-10-19-18-21(17(14)23)15(11-24-18)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyKYGDSOBUBXDFIS-LBPRGKRZSA-N
MW341.44 g/mol
LogP3.34
Rot. Bonds5

About 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51564211) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51564211
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC[C@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H19N3O2S/c1-3-7-12(2)20-16(22)14-10-19-18-21(17(14)23)15(11-24-18)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyKYGDSOBUBXDFIS-LBPRGKRZSA-N
XLogP3.34
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51564211) is 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC[C@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O.
What is the InChIKey of 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KYGDSOBUBXDFIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-7-12(2)20-16(22)14-10-19-18-21(17(14)23)15(11-24-18)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51564211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).