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

C14H18N4O2S — CID 46363934

IUPAC5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H18N4O2S/c19-12(15-4-7-17-5-2-1-3-6-17)11-10-16-14-18(13(11)20)8-9-21-14/h8-10H,1-7H2,(H,15,19)
InChIKeyPVYOCMBIQYBRSL-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.97
Rot. Bonds4

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

5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363934) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363934
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H18N4O2S/c19-12(15-4-7-17-5-2-1-3-6-17)11-10-16-14-18(13(11)20)8-9-21-14/h8-10H,1-7H2,(H,15,19)
InChIKeyPVYOCMBIQYBRSL-UHFFFAOYSA-N
XLogP0.97
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363934) is 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCN1CCCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PVYOCMBIQYBRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-12(15-4-7-17-5-2-1-3-6-17)11-10-16-14-18(13(11)20)8-9-21-14/h8-10H,1-7H2,(H,15,19).
What are the key properties of 5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.97, 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-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).