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

C5H7ClN2O4S2 — CID 174821930

IUPAC2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
SMILESCC(=O)Nc1ncc(S(=O)(=O)O)s1.Cl
InChIInChI=1S/C5H6N2O4S2.ClH/c1-3(8)7-5-6-2-4(12-5)13(9,10)11;/h2H,1H3,(H,6,7,8)(H,9,10,11);1H
InChIKeyJQYMUTLRDNFKER-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.77
Rot. Bonds2

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

2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride (PubChem CID 174821930) has the molecular formula C5H7ClN2O4S2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
PubChem CID174821930
Molecular FormulaC5H7ClN2O4S2
Molecular Weight258.71 g/mol
Exact Mass257.95
IUPAC Name2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
SMILESCC(=O)Nc1ncc(S(=O)(=O)O)s1.Cl
InChIInChI=1S/C5H6N2O4S2.ClH/c1-3(8)7-5-6-2-4(12-5)13(9,10)11;/h2H,1H3,(H,6,7,8)(H,9,10,11);1H
InChIKeyJQYMUTLRDNFKER-UHFFFAOYSA-N
XLogP0.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.77
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-(cyclopropylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 90480612
N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
CID 54507195
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 166282369
N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560676
N-[5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122252853
2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174820406
2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazole-5-sulfonic acid
CID 87416992
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 27242370
N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 119101378
2-acetamido-1,3-thiazole-5-sulfinate
CID 90750741

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride?
The IUPAC name of 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride (CID 174821930) is 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride.
What is the SMILES notation for 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride?
The canonical SMILES for 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride is CC(=O)Nc1ncc(S(=O)(=O)O)s1.Cl.
What is the InChIKey of 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride?
The InChIKey is JQYMUTLRDNFKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S2.ClH/c1-3(8)7-5-6-2-4(12-5)13(9,10)11;/h2H,1H3,(H,6,7,8)(H,9,10,11);1H.
What are the key properties of 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride?
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride is sourced from PubChem (CID 174821930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).