4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole

C14H25N3S — CID 64951847

IUPAC4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1csc(C(C)N2CCNC(CC(C)C)C2)n1
InChIInChI=1S/C14H25N3S/c1-10(2)7-13-8-17(6-5-15-13)12(4)14-16-11(3)9-18-14/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyIOKPPDXUVUGQJO-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.83
Rot. Bonds4

About 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole

4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 64951847) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID64951847
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1csc(C(C)N2CCNC(CC(C)C)C2)n1
InChIInChI=1S/C14H25N3S/c1-10(2)7-13-8-17(6-5-15-13)12(4)14-16-11(3)9-18-14/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyIOKPPDXUVUGQJO-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-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 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 64951847) is 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole is Cc1csc(C(C)N2CCNC(CC(C)C)C2)n1.
What is the InChIKey of 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is IOKPPDXUVUGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)7-13-8-17(6-5-15-13)12(4)14-16-11(3)9-18-14/h9-10,12-13,15H,5-8H2,1-4H3.
What are the key properties of 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 64951847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).