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

C14H16N4O4S — CID 135853332

IUPAC7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H16N4O4S/c19-9-3-1-5-17(9)6-2-4-15-11(20)10-12(21)16-14-18(13(10)22)7-8-23-14/h7-8,21H,1-6H2,(H,15,20)
InChIKeyMXFTVCIAONUHMT-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.20
Rot. Bonds5

About 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853332) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853332
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H16N4O4S/c19-9-3-1-5-17(9)6-2-4-15-11(20)10-12(21)16-14-18(13(10)22)7-8-23-14/h7-8,21H,1-6H2,(H,15,20)
InChIKeyMXFTVCIAONUHMT-UHFFFAOYSA-N
XLogP0.20
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853332) is 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCN1CCCC1=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MXFTVCIAONUHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c19-9-3-1-5-17(9)6-2-4-15-11(20)10-12(21)16-14-18(13(10)22)7-8-23-14/h7-8,21H,1-6H2,(H,15,20).
What are the key properties of 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).