5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H16N4O3S — CID 4122048

IUPAC5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H16N4O3S/c19-11-3-1-5-17(11)6-2-4-15-12(20)10-9-16-14-18(13(10)21)7-8-22-14/h7-9H,1-6H2,(H,15,20)
InChIKeyYMTPUZNOWCYSIZ-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.50
Rot. Bonds5

About 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4122048) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4122048
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H16N4O3S/c19-11-3-1-5-17(11)6-2-4-15-12(20)10-9-16-14-18(13(10)21)7-8-22-14/h7-9H,1-6H2,(H,15,20)
InChIKeyYMTPUZNOWCYSIZ-UHFFFAOYSA-N
XLogP0.50
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4122048) is 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YMTPUZNOWCYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c19-11-3-1-5-17(11)6-2-4-15-12(20)10-9-16-14-18(13(10)21)7-8-22-14/h7-9H,1-6H2,(H,15,20).
What are the key properties of 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4122048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).