N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide

C19H23F2N3OS — CID 118289576

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(c1cncs1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H23F2N3OS/c1-13-4-3-5-14(2)17(13)18(25)23-10-15(16-11-22-12-26-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,15H,6-10H2,1-2H3,(H,23,25)
InChIKeyQIJBWLZSNFEYHI-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide

N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide (PubChem CID 118289576) has the molecular formula C19H23F2N3OS and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
PubChem CID118289576
Molecular FormulaC19H23F2N3OS
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(c1cncs1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H23F2N3OS/c1-13-4-3-5-14(2)17(13)18(25)23-10-15(16-11-22-12-26-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,15H,6-10H2,1-2H3,(H,23,25)
InChIKeyQIJBWLZSNFEYHI-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide 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 N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide (CID 118289576) is N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCC(c1cncs1)N1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The InChIKey is QIJBWLZSNFEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OS/c1-13-4-3-5-14(2)17(13)18(25)23-10-15(16-11-22-12-26-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,15H,6-10H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 118289576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).