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

C12H14N2O5S2 — CID 61192069

IUPAC5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(C)c(C(C)NS(=O)(=O)c2ccc(C(=O)O)o2)s1
InChIInChI=1S/C12H14N2O5S2/c1-6-11(20-8(3)13-6)7(2)14-21(17,18)10-5-4-9(19-10)12(15)16/h4-5,7,14H,1-3H3,(H,15,16)
InChIKeyQFYFKUCPOYSNAN-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.09
Rot. Bonds5

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

5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 61192069) has the molecular formula C12H14N2O5S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID61192069
Molecular FormulaC12H14N2O5S2
Molecular Weight330.39 g/mol
Exact Mass330.03
IUPAC Name5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(C)c(C(C)NS(=O)(=O)c2ccc(C(=O)O)o2)s1
InChIInChI=1S/C12H14N2O5S2/c1-6-11(20-8(3)13-6)7(2)14-21(17,18)10-5-4-9(19-10)12(15)16/h4-5,7,14H,1-3H3,(H,15,16)
InChIKeyQFYFKUCPOYSNAN-UHFFFAOYSA-N
XLogP2.09
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid (CID 61192069) is 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid is Cc1nc(C)c(C(C)NS(=O)(=O)c2ccc(C(=O)O)o2)s1.
What is the InChIKey of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is QFYFKUCPOYSNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S2/c1-6-11(20-8(3)13-6)7(2)14-21(17,18)10-5-4-9(19-10)12(15)16/h4-5,7,14H,1-3H3,(H,15,16).
What are the key properties of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 61192069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).