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

C13H9N3O2S — CID 16767102

IUPAC5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C13H9N3O2S/c14-11(17)9-6-15-13-16(12(9)18)10(7-19-13)8-4-2-1-3-5-8/h1-7H,(H2,14,17)
InChIKeyJKNIOTBBHWFWRQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.52
Rot. Bonds2

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

5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 16767102) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID16767102
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C13H9N3O2S/c14-11(17)9-6-15-13-16(12(9)18)10(7-19-13)8-4-2-1-3-5-8/h1-7H,(H2,14,17)
InChIKeyJKNIOTBBHWFWRQ-UHFFFAOYSA-N
XLogP1.52
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Chloromethyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2363746
7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853372
N-benzyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235738
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3241157
5-oxo-N-(m-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3242567
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3682192
3-methyl-5-oxo-N-(m-tolyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4112639
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

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 16767102) is 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O.
What is the InChIKey of 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JKNIOTBBHWFWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c14-11(17)9-6-15-13-16(12(9)18)10(7-19-13)8-4-2-1-3-5-8/h1-7H,(H2,14,17).
What are the key properties of 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 271.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 16767102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).