1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid

C17H18N2O3S — CID 119175967

IUPAC1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H18N2O3S/c20-15(19-9-5-4-8-14(19)17(21)22)10-13-11-23-16(18-13)12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2,(H,21,22)
InChIKeyRKHXBBUMXPRTLB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 119175967) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID119175967
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H18N2O3S/c20-15(19-9-5-4-8-14(19)17(21)22)10-13-11-23-16(18-13)12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2,(H,21,22)
InChIKeyRKHXBBUMXPRTLB-UHFFFAOYSA-N
XLogP2.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid (CID 119175967) is 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is RKHXBBUMXPRTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-15(19-9-5-4-8-14(19)17(21)22)10-13-11-23-16(18-13)12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2,(H,21,22).
What are the key properties of 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).