2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C27H32ClN3OS — CID 86581313

IUPAC2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(-c2ccc(CCN3CCCCC3)cc2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C27H32ClN3OS/c1-19(2)29-25(32)18-24-26(22-7-6-8-23(28)17-22)33-27(30-24)21-11-9-20(10-12-21)13-16-31-14-4-3-5-15-31/h6-12,17,19H,3-5,13-16,18H2,1-2H3,(H,29,32)
InChIKeySVIFIUWMIJSEAF-UHFFFAOYSA-N
MW482.09 g/mol
LogP6.23
Rot. Bonds8

About 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 86581313) has the molecular formula C27H32ClN3OS and a molecular weight of 482.09 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
PubChem CID86581313
Molecular FormulaC27H32ClN3OS
Molecular Weight482.09 g/mol
Exact Mass481.20
IUPAC Name2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(-c2ccc(CCN3CCCCC3)cc2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C27H32ClN3OS/c1-19(2)29-25(32)18-24-26(22-7-6-8-23(28)17-22)33-27(30-24)21-11-9-20(10-12-21)13-16-31-14-4-3-5-15-31/h6-12,17,19H,3-5,13-16,18H2,1-2H3,(H,29,32)
InChIKeySVIFIUWMIJSEAF-UHFFFAOYSA-N
XLogP6.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.09
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide 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 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 86581313) is 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1nc(-c2ccc(CCN3CCCCC3)cc2)sc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is SVIFIUWMIJSEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3OS/c1-19(2)29-25(32)18-24-26(22-7-6-8-23(28)17-22)33-27(30-24)21-11-9-20(10-12-21)13-16-31-14-4-3-5-15-31/h6-12,17,19H,3-5,13-16,18H2,1-2H3,(H,29,32).
What are the key properties of 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 482.09 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86581313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).