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

C12H10ClN3O2S3 — CID 60812633

IUPAC6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C12H10ClN3O2S3/c1-19-9-4-2-3-8(7-9)15-21(17,18)11-10(13)14-12-16(11)5-6-20-12/h2-7,15H,1H3
InChIKeyXCDMDBXSPLUPQK-UHFFFAOYSA-N
MW359.89 g/mol
LogP3.57
Rot. Bonds4

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

6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60812633) has the molecular formula C12H10ClN3O2S3 and a molecular weight of 359.89 g/mol. Its IUPAC name is 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60812633
Molecular FormulaC12H10ClN3O2S3
Molecular Weight359.89 g/mol
Exact Mass358.96
IUPAC Name6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C12H10ClN3O2S3/c1-19-9-4-2-3-8(7-9)15-21(17,18)11-10(13)14-12-16(11)5-6-20-12/h2-7,15H,1H3
InChIKeyXCDMDBXSPLUPQK-UHFFFAOYSA-N
XLogP3.57
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.89
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814471
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103744918
6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79735975

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60812633) is 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CSc1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1.
What is the InChIKey of 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is XCDMDBXSPLUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S3/c1-19-9-4-2-3-8(7-9)15-21(17,18)11-10(13)14-12-16(11)5-6-20-12/h2-7,15H,1H3.
What are the key properties of 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 359.89 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60812633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).