5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H11N3O2S2 — CID 46556227

IUPAC5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCc1cccs1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H11N3O2S2/c17-11(14-4-3-9-2-1-6-19-9)10-8-15-13-16(12(10)18)5-7-20-13/h1-2,5-8H,3-4H2,(H,14,17)
InChIKeyHIAIDGFEUGLPDX-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.79
Rot. Bonds4

About 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46556227) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46556227
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCc1cccs1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H11N3O2S2/c17-11(14-4-3-9-2-1-6-19-9)10-8-15-13-16(12(10)18)5-7-20-13/h1-2,5-8H,3-4H2,(H,14,17)
InChIKeyHIAIDGFEUGLPDX-UHFFFAOYSA-N
XLogP1.79
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18114702
5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942683
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
N-[(5-methylfuran-2-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363937
N-[(3-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46424715
N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94042026
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 66005182
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154021
5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46449981
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51112071

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46556227) is 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCc1cccs1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HIAIDGFEUGLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c17-11(14-4-3-9-2-1-6-19-9)10-8-15-13-16(12(10)18)5-7-20-13/h1-2,5-8H,3-4H2,(H,14,17).
What are the key properties of 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46556227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).