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

C10H14ClN3O2S3 — CID 63964111

IUPAC6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H14ClN3O2S3/c1-7(6-17-2)5-12-19(15,16)9-8(11)13-10-14(9)3-4-18-10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyNVBABHAFNZMTHJ-UHFFFAOYSA-N
MW339.90 g/mol
LogP2.33
Rot. Bonds6

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

6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63964111) has the molecular formula C10H14ClN3O2S3 and a molecular weight of 339.90 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63964111
Molecular FormulaC10H14ClN3O2S3
Molecular Weight339.90 g/mol
Exact Mass338.99
IUPAC Name6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H14ClN3O2S3/c1-7(6-17-2)5-12-19(15,16)9-8(11)13-10-14(9)3-4-18-10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyNVBABHAFNZMTHJ-UHFFFAOYSA-N
XLogP2.33
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.90
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962286
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-(2-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115610829
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63239264
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115638895

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63964111) is 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CSCC(C)CNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is NVBABHAFNZMTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S3/c1-7(6-17-2)5-12-19(15,16)9-8(11)13-10-14(9)3-4-18-10/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 339.90 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63964111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).