1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone

C20H15ClN2OS — CID 58217442

IUPAC1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C20H15ClN2OS/c21-15-5-3-4-14(10-15)12-23-13-17(16-6-1-2-7-18(16)23)19(24)11-20-22-8-9-25-20/h1-10,13H,11-12H2
InChIKeyHKOAOYLZHXRYCR-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.22
Rot. Bonds5

About 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone

1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 58217442) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58217442
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C20H15ClN2OS/c21-15-5-3-4-14(10-15)12-23-13-17(16-6-1-2-7-18(16)23)19(24)11-20-22-8-9-25-20/h1-10,13H,11-12H2
InChIKeyHKOAOYLZHXRYCR-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone 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-(3-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397713
Indothiazinone
CID 69252541
(1-(2-(4-Methylthiazol-5-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11660635
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carboxamide
CID 162644266
(2-Chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone
CID 162662208
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carbaldehyde
CID 162673576
4-((5-chloro-1-methyl-1H-indol-3-yl)methylene)-3-(thiazol-2-yl)-1H-pyrazol-5(4H)-one
CID 44410112
5-(2-Chloro-6-methylsulfanylpyridine-4-carbonyl)-1-methylindole-3-carbaldehyde
CID 162644113
1-(1-Benzylindol-3-yl)-2-thiophen-2-ylethane-1,2-dione
CID 73350968
2-{[3-(2-thienylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile
CID 977306
(1-ethyl-1H-indol-3-yl)(2-thienyl)methanone
CID 1241971
N-(3-chloro-2-methylphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1291142

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (CID 58217442) is 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1cn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is HKOAOYLZHXRYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-15-5-3-4-14(10-15)12-23-13-17(16-6-1-2-7-18(16)23)19(24)11-20-22-8-9-25-20/h1-10,13H,11-12H2.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 366.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58217442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).