5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C17H20N2O4S — CID 119226615

IUPAC5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C17H20N2O4S/c1-9-14(24-16(19-9)11-5-3-4-6-11)15(20)18-8-12-7-13(17(21)22)10(2)23-12/h7,11H,3-6,8H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyZOSRHKRAQCIANC-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.64
Rot. Bonds5

About 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226615) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226615
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C17H20N2O4S/c1-9-14(24-16(19-9)11-5-3-4-6-11)15(20)18-8-12-7-13(17(21)22)10(2)23-12/h7,11H,3-6,8H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyZOSRHKRAQCIANC-UHFFFAOYSA-N
XLogP3.64
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226615) is 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1nc(C2CCCC2)sc1C(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is ZOSRHKRAQCIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-9-14(24-16(19-9)11-5-3-4-6-11)15(20)18-8-12-7-13(17(21)22)10(2)23-12/h7,11H,3-6,8H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).