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

C10H10N2O5S2 — CID 55013730

IUPAC5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1cscn1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O5S2/c1-12(4-7-5-18-6-11-7)19(15,16)9-3-2-8(17-9)10(13)14/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyDGHSTTWIIVALRU-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.25
Rot. Bonds5

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

5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 55013730) has the molecular formula C10H10N2O5S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID55013730
Molecular FormulaC10H10N2O5S2
Molecular Weight302.33 g/mol
Exact Mass302.00
IUPAC Name5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1cscn1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O5S2/c1-12(4-7-5-18-6-11-7)19(15,16)9-3-2-8(17-9)10(13)14/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyDGHSTTWIIVALRU-UHFFFAOYSA-N
XLogP1.25
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid (CID 55013730) is 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid is CN(Cc1cscn1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is DGHSTTWIIVALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S2/c1-12(4-7-5-18-6-11-7)19(15,16)9-3-2-8(17-9)10(13)14/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 55013730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).