2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole

C11H19N3S2 — CID 58328438

IUPAC2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole
SMILESCc1ncc(SCCN2CCN(C)CC2)s1
InChIInChI=1S/C11H19N3S2/c1-10-12-9-11(16-10)15-8-7-14-5-3-13(2)4-6-14/h9H,3-8H2,1-2H3
InChIKeyMQMBAMWVWPCKNR-UHFFFAOYSA-N
MW257.43 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole

2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole (PubChem CID 58328438) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole
PubChem CID58328438
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole
SMILESCc1ncc(SCCN2CCN(C)CC2)s1
InChIInChI=1S/C11H19N3S2/c1-10-12-9-11(16-10)15-8-7-14-5-3-13(2)4-6-14/h9H,3-8H2,1-2H3
InChIKeyMQMBAMWVWPCKNR-UHFFFAOYSA-N
XLogP1.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-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-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole (CID 58328438) is 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole is Cc1ncc(SCCN2CCN(C)CC2)s1.
What is the InChIKey of 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole?
The InChIKey is MQMBAMWVWPCKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-10-12-9-11(16-10)15-8-7-14-5-3-13(2)4-6-14/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole?
2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole has a molecular weight of 257.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 58328438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).