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

C20H18ClFN2OS — CID 6736690

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H18ClFN2OS/c1-13-18(24-20(26-13)15-5-7-16(21)8-6-15)12-19(25)23-10-9-14-3-2-4-17(22)11-14/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyKZAJYVJPRAJFPW-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.81
Rot. Bonds6

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

2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 6736690) has the molecular formula C20H18ClFN2OS and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
PubChem CID6736690
Molecular FormulaC20H18ClFN2OS
Molecular Weight388.90 g/mol
Exact Mass388.08
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H18ClFN2OS/c1-13-18(24-20(26-13)15-5-7-16(21)8-6-15)12-19(25)23-10-9-14-3-2-4-17(22)11-14/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyKZAJYVJPRAJFPW-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide 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-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 6736690) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide is Cc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is KZAJYVJPRAJFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2OS/c1-13-18(24-20(26-13)15-5-7-16(21)8-6-15)12-19(25)23-10-9-14-3-2-4-17(22)11-14/h2-8,11H,9-10,12H2,1H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 6736690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).