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

C22H23FN2OS2 — CID 145363297

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide
SMILESCc1ccccc1-c1nc(C)c(CSCC(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C22H23FN2OS2/c1-15-5-3-4-6-19(15)22-25-16(2)20(28-22)13-27-14-21(26)24-12-11-17-7-9-18(23)10-8-17/h3-10H,11-14H2,1-2H3,(H,24,26)
InChIKeySMIUZRNHURMUEI-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.16
Rot. Bonds8

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

N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide (PubChem CID 145363297) has the molecular formula C22H23FN2OS2 and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide
PubChem CID145363297
Molecular FormulaC22H23FN2OS2
Molecular Weight414.57 g/mol
Exact Mass414.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide
SMILESCc1ccccc1-c1nc(C)c(CSCC(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C22H23FN2OS2/c1-15-5-3-4-6-19(15)22-25-16(2)20(28-22)13-27-14-21(26)24-12-11-17-7-9-18(23)10-8-17/h3-10H,11-14H2,1-2H3,(H,24,26)
InChIKeySMIUZRNHURMUEI-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 145363279
2-[[2-[4-[1-[3-[[2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]acetyl]amino]phenyl]ethyl]phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 145363142
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 43250430
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547206
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 90547242

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide (CID 145363297) is N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide is Cc1ccccc1-c1nc(C)c(CSCC(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide?
The InChIKey is SMIUZRNHURMUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2OS2/c1-15-5-3-4-6-19(15)22-25-16(2)20(28-22)13-27-14-21(26)24-12-11-17-7-9-18(23)10-8-17/h3-10H,11-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide has a molecular weight of 414.57 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 145363297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).