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

C15H18N4O4S — CID 135853378

IUPAC7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCN3CCCC3=O)c(=O)n12
InChIInChI=1S/C15H18N4O4S/c1-9-8-24-15-17-13(22)11(14(23)19(9)15)12(21)16-5-3-7-18-6-2-4-10(18)20/h8,22H,2-7H2,1H3,(H,16,21)
InChIKeyGLCATRBLNFMRNW-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.51
Rot. Bonds5

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

7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853378) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853378
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCN3CCCC3=O)c(=O)n12
InChIInChI=1S/C15H18N4O4S/c1-9-8-24-15-17-13(22)11(14(23)19(9)15)12(21)16-5-3-7-18-6-2-4-10(18)20/h8,22H,2-7H2,1H3,(H,16,21)
InChIKeyGLCATRBLNFMRNW-UHFFFAOYSA-N
XLogP0.51
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.51
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-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853378) is 7-hydroxy-3-methyl-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-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NCCCN3CCCC3=O)c(=O)n12.
What is the InChIKey of 7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GLCATRBLNFMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-9-8-24-15-17-13(22)11(14(23)19(9)15)12(21)16-5-3-7-18-6-2-4-10(18)20/h8,22H,2-7H2,1H3,(H,16,21).
What are the key properties of 7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).