2-(4-methylpiperazin-1-yl)-1,3-thiazole

C8H13N3S — CID 10130248

IUPAC2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nccs2)CC1
InChIInChI=1S/C8H13N3S/c1-10-3-5-11(6-4-10)8-9-2-7-12-8/h2,7H,3-6H2,1H3
InChIKeyOSPDKPFPBGJRTD-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.89
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-1,3-thiazole

2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 10130248) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID10130248
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nccs2)CC1
InChIInChI=1S/C8H13N3S/c1-10-3-5-11(6-4-10)8-9-2-7-12-8/h2,7H,3-6H2,1H3
InChIKeyOSPDKPFPBGJRTD-UHFFFAOYSA-N
XLogP0.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperazin-1-yl)-1,3-thiazole 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 2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 10130248) is 2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is OSPDKPFPBGJRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-10-3-5-11(6-4-10)8-9-2-7-12-8/h2,7H,3-6H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,3-thiazole?
2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 10130248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).