3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H21N5O2S — CID 46363976

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN3CCN(C)CC3)c(=O)n12
InChIInChI=1S/C15H21N5O2S/c1-11-10-23-15-17-9-12(14(22)20(11)15)13(21)16-3-4-19-7-5-18(2)6-8-19/h9-10H,3-8H2,1-2H3,(H,16,21)
InChIKeyQILKBOPBDSSAPB-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.04
Rot. Bonds4

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363976) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363976
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN3CCN(C)CC3)c(=O)n12
InChIInChI=1S/C15H21N5O2S/c1-11-10-23-15-17-9-12(14(22)20(11)15)13(21)16-3-4-19-7-5-18(2)6-8-19/h9-10H,3-8H2,1-2H3,(H,16,21)
InChIKeyQILKBOPBDSSAPB-UHFFFAOYSA-N
XLogP0.04
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363976) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCN3CCN(C)CC3)c(=O)n12.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QILKBOPBDSSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-10-23-15-17-9-12(14(22)20(11)15)13(21)16-3-4-19-7-5-18(2)6-8-19/h9-10H,3-8H2,1-2H3,(H,16,21).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).