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

C14H19N5O2S — CID 46363946

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H19N5O2S/c1-17-4-6-18(7-5-17)3-2-15-12(20)11-10-16-14-19(13(11)21)8-9-22-14/h8-10H,2-7H2,1H3,(H,15,20)
InChIKeyDBYHLTMODVQUGN-UHFFFAOYSA-N
MW321.41 g/mol
LogP-0.27
Rot. Bonds4

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

N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363946) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363946
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H19N5O2S/c1-17-4-6-18(7-5-17)3-2-15-12(20)11-10-16-14-19(13(11)21)8-9-22-14/h8-10H,2-7H2,1H3,(H,15,20)
InChIKeyDBYHLTMODVQUGN-UHFFFAOYSA-N
XLogP-0.27
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363946) is N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN1CCN(CCNC(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DBYHLTMODVQUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-17-4-6-18(7-5-17)3-2-15-12(20)11-10-16-14-19(13(11)21)8-9-22-14/h8-10H,2-7H2,1H3,(H,15,20).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.41 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).