2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride

C6H9ClN2O4S2 — CID 174820406

IUPAC2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)O)s1.Cl
InChIInChI=1S/C6H8N2O4S2.ClH/c1-3-5(14(10,11)12)13-6(7-3)8-4(2)9;/h1-2H3,(H,7,8,9)(H,10,11,12);1H
InChIKeyRYBJYVCYEYUREH-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.08
Rot. Bonds2

About 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride

2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride (PubChem CID 174820406) has the molecular formula C6H9ClN2O4S2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
PubChem CID174820406
Molecular FormulaC6H9ClN2O4S2
Molecular Weight272.74 g/mol
Exact Mass271.97
IUPAC Name2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)O)s1.Cl
InChIInChI=1S/C6H8N2O4S2.ClH/c1-3-5(14(10,11)12)13-6(7-3)8-4(2)9;/h1-2H3,(H,7,8,9)(H,10,11,12);1H
InChIKeyRYBJYVCYEYUREH-UHFFFAOYSA-N
XLogP1.08
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87281931
N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 86607109
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 118741351
N-[5-[3-(1,2-benzothiazol-3-ylamino)propylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 57436405
methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate
CID 54438634
N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 56749272
4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63944847
2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946838
N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 143638089
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63947443

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride?
The IUPAC name of 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride (CID 174820406) is 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride.
What is the SMILES notation for 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride?
The canonical SMILES for 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride is CC(=O)Nc1nc(C)c(S(=O)(=O)O)s1.Cl.
What is the InChIKey of 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride?
The InChIKey is RYBJYVCYEYUREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S2.ClH/c1-3-5(14(10,11)12)13-6(7-3)8-4(2)9;/h1-2H3,(H,7,8,9)(H,10,11,12);1H.
What are the key properties of 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride?
2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride is sourced from PubChem (CID 174820406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).