4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid

C12H12N2O5S2 — CID 62805228

IUPAC4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H12N2O5S2/c1-6-10(5-8(19-6)11(15)16)21(17,18)14-12-13-7-3-2-4-9(7)20-12/h5H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyOZQIQTVFHNTBLU-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.03
Rot. Bonds4

About 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid (PubChem CID 62805228) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
PubChem CID62805228
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H12N2O5S2/c1-6-10(5-8(19-6)11(15)16)21(17,18)14-12-13-7-3-2-4-9(7)20-12/h5H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyOZQIQTVFHNTBLU-UHFFFAOYSA-N
XLogP2.03
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid with MolForge

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 64558473
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 60709101
5-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)furan-2-carboxylic acid
CID 62205330
4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61073899
5-(aminomethyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
CID 106053168
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzenesulfonamide
CID 3566516
2,3,4,5,6-pentamethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201616
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106053395
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzenesulfonamide
CID 62152211

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid (CID 62805228) is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is OZQIQTVFHNTBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-6-10(5-8(19-6)11(15)16)21(17,18)14-12-13-7-3-2-4-9(7)20-12/h5H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62805228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).