2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole

C8H13N3O2S2 — CID 103951395

IUPAC2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCNCC2)s1
InChIInChI=1S/C8H13N3O2S2/c1-7-10-6-8(14-7)15(12,13)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyNUNKIGHZYNXTHJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.05
Rot. Bonds2

About 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole

2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole (PubChem CID 103951395) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole
PubChem CID103951395
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCNCC2)s1
InChIInChI=1S/C8H13N3O2S2/c1-7-10-6-8(14-7)15(12,13)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyNUNKIGHZYNXTHJ-UHFFFAOYSA-N
XLogP0.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-piperazin-1-ylsulfonyl-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-piperazin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole (CID 103951395) is 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole is Cc1ncc(S(=O)(=O)N2CCNCC2)s1.
What is the InChIKey of 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is NUNKIGHZYNXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-7-10-6-8(14-7)15(12,13)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole?
2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 247.34 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 103951395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).