N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C17H20ClN3OS — CID 3791349

IUPACN-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1csc(C2CCNCC2)n1
InChIInChI=1S/C17H20ClN3OS/c18-14-4-2-1-3-12(14)7-10-20-16(22)15-11-23-17(21-15)13-5-8-19-9-6-13/h1-4,11,13,19H,5-10H2,(H,20,22)
InChIKeyWKFZIAXKKRBSNN-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 3791349) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID3791349
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1csc(C2CCNCC2)n1
InChIInChI=1S/C17H20ClN3OS/c18-14-4-2-1-3-12(14)7-10-20-16(22)15-11-23-17(21-15)13-5-8-19-9-6-13/h1-4,11,13,19H,5-10H2,(H,20,22)
InChIKeyWKFZIAXKKRBSNN-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23798960
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 4657597
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-[2-(2-ethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 4982776
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3828657
methyl 4-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate
CID 4986353
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3553057
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209105
2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052425
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 3791349) is N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is O=C(NCCc1ccccc1Cl)c1csc(C2CCNCC2)n1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WKFZIAXKKRBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-4-2-1-3-12(14)7-10-20-16(22)15-11-23-17(21-15)13-5-8-19-9-6-13/h1-4,11,13,19H,5-10H2,(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3791349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).