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

C10H10N2O5S2 — CID 63280526

IUPAC5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1ncsc1CNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O5S2/c1-6-8(18-5-11-6)4-12-19(15,16)9-3-2-7(17-9)10(13)14/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKeyWPSULVKSPDPRJN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.22
Rot. Bonds5

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

5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 63280526) has the molecular formula C10H10N2O5S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID63280526
Molecular FormulaC10H10N2O5S2
Molecular Weight302.33 g/mol
Exact Mass302.00
IUPAC Name5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1ncsc1CNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O5S2/c1-6-8(18-5-11-6)4-12-19(15,16)9-3-2-7(17-9)10(13)14/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKeyWPSULVKSPDPRJN-UHFFFAOYSA-N
XLogP1.22
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]furan-2-carboxylate
CID 71878141
5-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 29077395
5-[(4-Methyl-1,3-thiazol-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 54913072
5-[Methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 55013730
5-[2-(4-Methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid
CID 55050518
5-[2-(1,3-Thiazol-4-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 55260656
5-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 60951037
5-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 61192069
5-[(2-Methyl-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 61280903
5-[(2-Methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 61282970
5-(1,3-Thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 61285636
5-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 61464672

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 63280526) is 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid is Cc1ncsc1CNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is WPSULVKSPDPRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S2/c1-6-8(18-5-11-6)4-12-19(15,16)9-3-2-7(17-9)10(13)14/h2-3,5,12H,4H2,1H3,(H,13,14).
What are the key properties of 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63280526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).