[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone

C22H18ClNO2S — CID 122329357

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2S/c23-20-9-5-4-8-19(20)22-24(14-15-27-22)21(25)16-10-12-18(13-11-16)26-17-6-2-1-3-7-17/h1-13,22H,14-15H2
InChIKeyRFYZIKRJCSXEKT-UHFFFAOYSA-N
MW395.91 g/mol
LogP6.02
Rot. Bonds4

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 122329357) has the molecular formula C22H18ClNO2S and a molecular weight of 395.91 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID122329357
Molecular FormulaC22H18ClNO2S
Molecular Weight395.91 g/mol
Exact Mass395.07
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2S/c23-20-9-5-4-8-19(20)22-24(14-15-27-22)21(25)16-10-12-18(13-11-16)26-17-6-2-1-3-7-17/h1-13,22H,14-15H2
InChIKeyRFYZIKRJCSXEKT-UHFFFAOYSA-N
XLogP6.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenethyl)-4-(benzyloxy)-N-(pyrrolidin-3-yl)benzamide
CID 44433031
N-[4-(4-chlorobenzoyl)-1lambda~4~,4-thiazinan-1-ylidene]-4-methoxybenzamide
CID 2821348
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2-phenylethoxy)benzoyl]pyrrolidine-2-carbaldehyde
CID 155921790
N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-4-methoxybenzamide
CID 2177998
N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-propoxybenzamide
CID 3837501
N-(2-chlorophenethyl)-4-isopropoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 44433038
N-(2-chlorophenethyl)-4-isopropoxy-N-(tetrahydrothiophen-3-yl)benzamide
CID 44433039
N-(2-chlorophenethyl)-N-(1-formylpyrrolidin-3-yl)-4-isopropoxybenzamide
CID 44433040
N-[3-[acetyl-[(3-chlorophenyl)methyl]amino]propyl]-N-methyl-4-phenoxybenzamide
CID 44453518
1-(2-Chloro-6-fluorobenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine
CID 53150070
1-(2-Chloro-4-fluorobenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine
CID 53150086
1-(2-Chloro-5-fluorobenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine
CID 53150088

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone (CID 122329357) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is RFYZIKRJCSXEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2S/c23-20-9-5-4-8-19(20)22-24(14-15-27-22)21(25)16-10-12-18(13-11-16)26-17-6-2-1-3-7-17/h1-13,22H,14-15H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 395.91 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 122329357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).