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

C7H11ClN2O4S2 — CID 107856739

IUPAC2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCCONS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C7H11ClN2O4S2/c1-5-6(15-7(8)9-5)16(11,12)10-14-4-3-13-2/h10H,3-4H2,1-2H3
InChIKeyPKAGXFXEFHOYDX-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.96
Rot. Bonds6

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

2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 107856739) has the molecular formula C7H11ClN2O4S2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID107856739
Molecular FormulaC7H11ClN2O4S2
Molecular Weight286.76 g/mol
Exact Mass285.98
IUPAC Name2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCCONS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C7H11ClN2O4S2/c1-5-6(15-7(8)9-5)16(11,12)10-14-4-3-13-2/h10H,3-4H2,1-2H3
InChIKeyPKAGXFXEFHOYDX-UHFFFAOYSA-N
XLogP0.96
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64603212
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 114387374
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]butanoic acid
CID 61249811
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43456245
2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 61046078
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide (CID 107856739) is 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide is COCCONS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PKAGXFXEFHOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O4S2/c1-5-6(15-7(8)9-5)16(11,12)10-14-4-3-13-2/h10H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 286.76 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107856739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).