5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid

C12H11NO4S — CID 114818997

IUPAC5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2sc(C)cc2C(=O)O)co1
InChIInChI=1S/C12H11NO4S/c1-6-3-8(5-17-6)10(14)13-11-9(12(15)16)4-7(2)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyKVJOEIZQJDOPTR-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.91
Rot. Bonds3

About 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 114818997) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID114818997
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2sc(C)cc2C(=O)O)co1
InChIInChI=1S/C12H11NO4S/c1-6-3-8(5-17-6)10(14)13-11-9(12(15)16)4-7(2)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyKVJOEIZQJDOPTR-UHFFFAOYSA-N
XLogP2.91
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 114818997) is 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)Nc2sc(C)cc2C(=O)O)co1.
What is the InChIKey of 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is KVJOEIZQJDOPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-6-3-8(5-17-6)10(14)13-11-9(12(15)16)4-7(2)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 114818997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).