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

C15H21N5O2S — CID 46363941

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C15H21N5O2S/c1-18-5-7-19(8-6-18)4-2-3-16-13(21)12-11-17-15-20(14(12)22)9-10-23-15/h9-11H,2-8H2,1H3,(H,16,21)
InChIKeyLPEMJSNWUMFGDX-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.12
Rot. Bonds5

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

N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363941) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363941
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C15H21N5O2S/c1-18-5-7-19(8-6-18)4-2-3-16-13(21)12-11-17-15-20(14(12)22)9-10-23-15/h9-11H,2-8H2,1H3,(H,16,21)
InChIKeyLPEMJSNWUMFGDX-UHFFFAOYSA-N
XLogP0.12
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.12
H-Bond Donors ≤ 51
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 N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363941) is N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN1CCN(CCCNC(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LPEMJSNWUMFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-18-5-7-19(8-6-18)4-2-3-16-13(21)12-11-17-15-20(14(12)22)9-10-23-15/h9-11H,2-8H2,1H3,(H,16,21).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).