2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide

C27H22FN3OS — CID 42895156

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C27H22FN3OS/c28-20-10-6-9-19(13-20)27-31-21(17-33-27)14-26(32)30-15-23(18-7-2-1-3-8-18)24-16-29-25-12-5-4-11-22(24)25/h1-13,16-17,23,29H,14-15H2,(H,30,32)
InChIKeyGDKOOBKNBFAVSD-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.92
Rot. Bonds7

About 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (PubChem CID 42895156) has the molecular formula C27H22FN3OS and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
PubChem CID42895156
Molecular FormulaC27H22FN3OS
Molecular Weight455.56 g/mol
Exact Mass455.15
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C27H22FN3OS/c28-20-10-6-9-19(13-20)27-31-21(17-33-27)14-26(32)30-15-23(18-7-2-1-3-8-18)24-16-29-25-12-5-4-11-22(24)25/h1-13,16-17,23,29H,14-15H2,(H,30,32)
InChIKeyGDKOOBKNBFAVSD-UHFFFAOYSA-N
XLogP5.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]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-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 42895093
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388644
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55450413
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34256999
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (CID 42895156) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The InChIKey is GDKOOBKNBFAVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3OS/c28-20-10-6-9-19(13-20)27-31-21(17-33-27)14-26(32)30-15-23(18-7-2-1-3-8-18)24-16-29-25-12-5-4-11-22(24)25/h1-13,16-17,23,29H,14-15H2,(H,30,32).
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 42895156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).