2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide

C7H11ClN2O2S3 — CID 61053561

IUPAC2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
SMILESCSCCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C7H11ClN2O2S3/c1-5-6(14-7(8)10-5)15(11,12)9-3-4-13-2/h9H,3-4H2,1-2H3
InChIKeyDOTMURZHVKPIAS-UHFFFAOYSA-N
MW286.83 g/mol
LogP1.75
Rot. Bonds5

About 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61053561) has the molecular formula C7H11ClN2O2S3 and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61053561
Molecular FormulaC7H11ClN2O2S3
Molecular Weight286.83 g/mol
Exact Mass285.97
IUPAC Name2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
SMILESCSCCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C7H11ClN2O2S3/c1-5-6(14-7(8)10-5)15(11,12)9-3-4-13-2/h9H,3-4H2,1-2H3
InChIKeyDOTMURZHVKPIAS-UHFFFAOYSA-N
XLogP1.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]butanoic acid
CID 61249811
2-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 61052463
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456215
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
2-chloro-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 79471965
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide (CID 61053561) is 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide is CSCCNS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is DOTMURZHVKPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S3/c1-5-6(14-7(8)10-5)15(11,12)9-3-4-13-2/h9H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 286.83 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).