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

C15H18N4O3S — CID 4099520

IUPAC3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCCN3CCCC3=O)c(=O)n12
InChIInChI=1S/C15H18N4O3S/c1-10-9-23-15-17-8-11(14(22)19(10)15)13(21)16-5-3-7-18-6-2-4-12(18)20/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyXYMVKVVRTSIFIB-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.81
Rot. Bonds5

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

3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4099520) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4099520
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCCN3CCCC3=O)c(=O)n12
InChIInChI=1S/C15H18N4O3S/c1-10-9-23-15-17-8-11(14(22)19(10)15)13(21)16-5-3-7-18-6-2-4-12(18)20/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyXYMVKVVRTSIFIB-UHFFFAOYSA-N
XLogP0.81
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.81
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 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4099520) is 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 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCCN3CCCC3=O)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XYMVKVVRTSIFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-9-23-15-17-8-11(14(22)19(10)15)13(21)16-5-3-7-18-6-2-4-12(18)20/h8-9H,2-7H2,1H3,(H,16,21).
What are the key properties of 3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
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 334.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 4099520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).