4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride

C16H23Cl2N3S — CID 3021496

IUPAC4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride
SMILESCc1ncsc1CCN1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H21N3S.2ClH/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15;;/h2-6,13H,7-12H2,1H3;2*1H
InChIKeySGVOHYDJVWZDBI-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.66
Rot. Bonds4

About 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride

4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride (PubChem CID 3021496) has the molecular formula C16H23Cl2N3S and a molecular weight of 360.35 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride
PubChem CID3021496
Molecular FormulaC16H23Cl2N3S
Molecular Weight360.35 g/mol
Exact Mass359.10
IUPAC Name4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride
SMILESCc1ncsc1CCN1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H21N3S.2ClH/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15;;/h2-6,13H,7-12H2,1H3;2*1H
InChIKeySGVOHYDJVWZDBI-UHFFFAOYSA-N
XLogP3.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride 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-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride (CID 3021496) is 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride is Cc1ncsc1CCN1CCN(c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride?
The InChIKey is SGVOHYDJVWZDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S.2ClH/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15;;/h2-6,13H,7-12H2,1H3;2*1H.
What are the key properties of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride?
4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride has a molecular weight of 360.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 3021496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).