5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid

C10H10N2O5S2 — CID 61464672

IUPAC5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2ccc(C(=O)O)o2)sc1C
InChIInChI=1S/C10H10N2O5S2/c1-5-6(2)18-10(11-5)12-19(15,16)8-4-3-7(17-8)9(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyBJXNHRQBHJXUFO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.85
Rot. Bonds4

About 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid

5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 61464672) has the molecular formula C10H10N2O5S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID61464672
Molecular FormulaC10H10N2O5S2
Molecular Weight302.33 g/mol
Exact Mass302.00
IUPAC Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2ccc(C(=O)O)o2)sc1C
InChIInChI=1S/C10H10N2O5S2/c1-5-6(2)18-10(11-5)12-19(15,16)8-4-3-7(17-8)9(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyBJXNHRQBHJXUFO-UHFFFAOYSA-N
XLogP1.85
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid (CID 61464672) is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid is Cc1nc(NS(=O)(=O)c2ccc(C(=O)O)o2)sc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is BJXNHRQBHJXUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S2/c1-5-6(2)18-10(11-5)12-19(15,16)8-4-3-7(17-8)9(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 61464672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).