5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid

C10H12N2O4S2 — CID 106209029

IUPAC5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
SMILESC#CCCCCNS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C10H12N2O4S2/c1-2-3-4-5-6-12-18(15,16)10-8(9(13)14)11-7-17-10/h1,7,12H,3-6H2,(H,13,14)
InChIKeyZTFVZULLYSEQAB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.92
Rot. Bonds7

About 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid

5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106209029) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106209029
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
SMILESC#CCCCCNS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C10H12N2O4S2/c1-2-3-4-5-6-12-18(15,16)10-8(9(13)14)11-7-17-10/h1,7,12H,3-6H2,(H,13,14)
InChIKeyZTFVZULLYSEQAB-UHFFFAOYSA-N
XLogP0.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
CID 106215466
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104773163
6-(hex-5-ynylsulfamoyl)pyridine-3-carboxylic acid
CID 106209006
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106168048
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107215379
3-(hex-5-ynylsulfamoyl)-2-methylbenzoic acid
CID 106208962
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053

Frequently Asked Questions

What is the IUPAC name of 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid (CID 106209029) is 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid is C#CCCCCNS(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZTFVZULLYSEQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-2-3-4-5-6-12-18(15,16)10-8(9(13)14)11-7-17-10/h1,7,12H,3-6H2,(H,13,14).
What are the key properties of 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid?
5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106209029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).