4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid

C12H14N2O6S2 — CID 154746676

IUPAC4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid
SMILESCOCC(NS(=O)(=O)c1csnc1C(=O)O)c1ccc(C)o1
InChIInChI=1S/C12H14N2O6S2/c1-7-3-4-9(20-7)8(5-19-2)14-22(17,18)10-6-21-13-11(10)12(15)16/h3-4,6,8,14H,5H2,1-2H3,(H,15,16)
InChIKeyOAAUYJIRAYZFGW-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.41
Rot. Bonds7

About 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid

4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid (PubChem CID 154746676) has the molecular formula C12H14N2O6S2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid
PubChem CID154746676
Molecular FormulaC12H14N2O6S2
Molecular Weight346.39 g/mol
Exact Mass346.03
IUPAC Name4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid
SMILESCOCC(NS(=O)(=O)c1csnc1C(=O)O)c1ccc(C)o1
InChIInChI=1S/C12H14N2O6S2/c1-7-3-4-9(20-7)8(5-19-2)14-22(17,18)10-6-21-13-11(10)12(15)16/h3-4,6,8,14H,5H2,1-2H3,(H,15,16)
InChIKeyOAAUYJIRAYZFGW-UHFFFAOYSA-N
XLogP1.41
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid
CID 154743279
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
1-[4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84588857
3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133346831
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
3-[(3,5-difluorophenyl)sulfonylamino]-3-(5-methylfuran-2-yl)propanoic acid
CID 154862933
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
CID 133346802
N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 171359773
4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide
CID 125421608
4-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]benzoic acid
CID 120552756

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid (CID 154746676) is 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid is COCC(NS(=O)(=O)c1csnc1C(=O)O)c1ccc(C)o1.
What is the InChIKey of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid?
The InChIKey is OAAUYJIRAYZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S2/c1-7-3-4-9(20-7)8(5-19-2)14-22(17,18)10-6-21-13-11(10)12(15)16/h3-4,6,8,14H,5H2,1-2H3,(H,15,16).
What are the key properties of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid?
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 154746676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).