5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid

C11H14N2O4S2 — CID 106168048

IUPAC5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C11H14N2O4S2/c14-10(15)9-11(18-7-12-9)19(16,17)13-6-5-8-3-1-2-4-8/h3,7,13H,1-2,4-6H2,(H,14,15)
InChIKeyRTCLNPIYSAPEFN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.62
Rot. Bonds6

About 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106168048) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106168048
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C11H14N2O4S2/c14-10(15)9-11(18-7-12-9)19(16,17)13-6-5-8-3-1-2-4-8/h3,7,13H,1-2,4-6H2,(H,14,15)
InChIKeyRTCLNPIYSAPEFN-UHFFFAOYSA-N
XLogP1.62
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106168071
4-bromo-3-[2-(cyclopenten-1-yl)ethylsulfamoyl]benzoic acid
CID 106168036
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 146134257
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide
CID 107855936
N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914971
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 106178052

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 106168048) is 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)NCCC1=CCCC1.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RTCLNPIYSAPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c14-10(15)9-11(18-7-12-9)19(16,17)13-6-5-8-3-1-2-4-8/h3,7,13H,1-2,4-6H2,(H,14,15).
What are the key properties of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 302.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106168048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).