7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid

C17H26N2O3S — CID 119227413

IUPAC7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C17H26N2O3S/c1-12-15(23-17(19-12)13-8-5-6-9-13)16(22)18-11-7-3-2-4-10-14(20)21/h13H,2-11H2,1H3,(H,18,22)(H,20,21)
InChIKeyUXYHHDBMJKBKFO-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.87
Rot. Bonds9

About 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid

7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid (PubChem CID 119227413) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
PubChem CID119227413
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C17H26N2O3S/c1-12-15(23-17(19-12)13-8-5-6-9-13)16(22)18-11-7-3-2-4-10-14(20)21/h13H,2-11H2,1H3,(H,18,22)(H,20,21)
InChIKeyUXYHHDBMJKBKFO-UHFFFAOYSA-N
XLogP3.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid (CID 119227413) is 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid is Cc1nc(C2CCCC2)sc1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid?
The InChIKey is UXYHHDBMJKBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-15(23-17(19-12)13-8-5-6-9-13)16(22)18-11-7-3-2-4-10-14(20)21/h13H,2-11H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid?
7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid has a molecular weight of 338.47 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119227413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).