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

C11H16ClN3O2S3 — CID 115638895

IUPAC6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCSCCC(C)N(C)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O2S3/c1-8(4-6-18-3)14(2)20(16,17)10-9(12)13-11-15(10)5-7-19-11/h5,7-8H,4,6H2,1-3H3
InChIKeyBJJXRVVPFZLLAF-UHFFFAOYSA-N
MW353.92 g/mol
LogP2.81
Rot. Bonds6

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

6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115638895) has the molecular formula C11H16ClN3O2S3 and a molecular weight of 353.92 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115638895
Molecular FormulaC11H16ClN3O2S3
Molecular Weight353.92 g/mol
Exact Mass353.01
IUPAC Name6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCSCCC(C)N(C)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O2S3/c1-8(4-6-18-3)14(2)20(16,17)10-9(12)13-11-15(10)5-7-19-11/h5,7-8H,4,6H2,1-3H3
InChIKeyBJJXRVVPFZLLAF-UHFFFAOYSA-N
XLogP2.81
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 60813305
6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679
6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047458
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 82948195
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
6-chloro-N-(5-hydroxypentyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107199118
N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115987152
6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812795
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338
6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106831846
6-chloro-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61422810
6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146640

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115638895) is 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CSCCC(C)N(C)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BJJXRVVPFZLLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S3/c1-8(4-6-18-3)14(2)20(16,17)10-9(12)13-11-15(10)5-7-19-11/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 353.92 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115638895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).