2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole

C8H12ClN3O2S2 — CID 43455774

IUPAC2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C8H12ClN3O2S2/c1-11-2-4-12(5-3-11)16(13,14)7-6-10-8(9)15-7/h6H,2-5H2,1H3
InChIKeyFMXLQHLBDWWPIM-UHFFFAOYSA-N
MW281.79 g/mol
LogP0.73
Rot. Bonds2

About 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole

2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455774) has the molecular formula C8H12ClN3O2S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455774
Molecular FormulaC8H12ClN3O2S2
Molecular Weight281.79 g/mol
Exact Mass281.01
IUPAC Name2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C8H12ClN3O2S2/c1-11-2-4-12(5-3-11)16(13,14)7-6-10-8(9)15-7/h6H,2-5H2,1H3
InChIKeyFMXLQHLBDWWPIM-UHFFFAOYSA-N
XLogP0.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-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-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 43455774) is 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole is CN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is FMXLQHLBDWWPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S2/c1-11-2-4-12(5-3-11)16(13,14)7-6-10-8(9)15-7/h6H,2-5H2,1H3.
What are the key properties of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 281.79 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).