6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H18ClN3O2S2 — CID 64743097

IUPAC6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(Cl)nc3sccn23)CC1C
InChIInChI=1S/C13H18ClN3O2S2/c1-8-3-4-10(7-9(8)2)16-21(18,19)12-11(14)15-13-17(12)5-6-20-13/h5-6,8-10,16H,3-4,7H2,1-2H3
InChIKeyKRSUNLFJMDUPGQ-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.15
Rot. Bonds3

About 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 64743097) has the molecular formula C13H18ClN3O2S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID64743097
Molecular FormulaC13H18ClN3O2S2
Molecular Weight347.89 g/mol
Exact Mass347.05
IUPAC Name6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(Cl)nc3sccn23)CC1C
InChIInChI=1S/C13H18ClN3O2S2/c1-8-3-4-10(7-9(8)2)16-21(18,19)12-11(14)15-13-17(12)5-6-20-13/h5-6,8-10,16H,3-4,7H2,1-2H3
InChIKeyKRSUNLFJMDUPGQ-UHFFFAOYSA-N
XLogP3.15
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149971
6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114540075
6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 61044840
N-cyclobutyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62415032
6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 54882392
6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812795
6-chloro-N-(2-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate
CID 61051278
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 64743097) is 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC1CCC(NS(=O)(=O)c2c(Cl)nc3sccn23)CC1C.
What is the InChIKey of 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is KRSUNLFJMDUPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S2/c1-8-3-4-10(7-9(8)2)16-21(18,19)12-11(14)15-13-17(12)5-6-20-13/h5-6,8-10,16H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 347.89 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 64743097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).