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

C11H12N2O5S2 — CID 63280665

IUPAC5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1ncsc1CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H12N2O5S2/c1-6-9(19-5-12-6)4-13-20(16,17)10-3-8(11(14)15)18-7(10)2/h3,5,13H,4H2,1-2H3,(H,14,15)
InChIKeyDQYGMRCXHYUTAY-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.53
Rot. Bonds5

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

5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 63280665) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID63280665
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1ncsc1CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H12N2O5S2/c1-6-9(19-5-12-6)4-13-20(16,17)10-3-8(11(14)15)18-7(10)2/h3,5,13H,4H2,1-2H3,(H,14,15)
InChIKeyDQYGMRCXHYUTAY-UHFFFAOYSA-N
XLogP1.53
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280526
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 154742165
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139003545
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid
CID 63283798
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114698518
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
4-[(2-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 63280665) is 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid is Cc1ncsc1CNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is DQYGMRCXHYUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-6-9(19-5-12-6)4-13-20(16,17)10-3-8(11(14)15)18-7(10)2/h3,5,13H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63280665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).