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

C21H21FN2OS — CID 7503023

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1
InChIInChI=1S/C21H21FN2OS/c1-13-10-14(2)12-17(11-13)20(25)23-9-8-19-15(3)24-21(26-19)16-4-6-18(22)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)
InChIKeyFGLKVFUGBCTACD-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.85
Rot. Bonds5

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

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide (PubChem CID 7503023) has the molecular formula C21H21FN2OS and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
PubChem CID7503023
Molecular FormulaC21H21FN2OS
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1
InChIInChI=1S/C21H21FN2OS/c1-13-10-14(2)12-17(11-13)20(25)23-9-8-19-15(3)24-21(26-19)16-4-6-18(22)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)
InChIKeyFGLKVFUGBCTACD-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-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-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide (CID 7503023) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide?
The InChIKey is FGLKVFUGBCTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2OS/c1-13-10-14(2)12-17(11-13)20(25)23-9-8-19-15(3)24-21(26-19)16-4-6-18(22)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 7503023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).