6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H11ClN4O2S3 — CID 63239264

IUPAC6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C11H11ClN4O2S3/c1-7-6-20-8(14-7)2-3-13-21(17,18)10-9(12)15-11-16(10)4-5-19-11/h4-6,13H,2-3H2,1H3
InChIKeyOAONOIZTPAGQAV-UHFFFAOYSA-N
MW362.89 g/mol
LogP2.34
Rot. Bonds5

About 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63239264) has the molecular formula C11H11ClN4O2S3 and a molecular weight of 362.89 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63239264
Molecular FormulaC11H11ClN4O2S3
Molecular Weight362.89 g/mol
Exact Mass361.97
IUPAC Name6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C11H11ClN4O2S3/c1-7-6-20-8(14-7)2-3-13-21(17,18)10-9(12)15-11-16(10)4-5-19-11/h4-6,13H,2-3H2,1H3
InChIKeyOAONOIZTPAGQAV-UHFFFAOYSA-N
XLogP2.34
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63239264) is 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1csc(CCNS(=O)(=O)c2c(Cl)nc3sccn23)n1.
What is the InChIKey of 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is OAONOIZTPAGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S3/c1-7-6-20-8(14-7)2-3-13-21(17,18)10-9(12)15-11-16(10)4-5-19-11/h4-6,13H,2-3H2,1H3.
What are the key properties of 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 362.89 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63239264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).