1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone

C17H16ClNOS — CID 42781088

IUPAC1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNOS/c18-15-8-4-7-14(12-15)17-19(9-10-21-17)16(20)11-13-5-2-1-3-6-13/h1-8,12,17H,9-11H2
InChIKeyKPOKXLCRLHJKOY-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.16
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone

1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone (PubChem CID 42781088) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
PubChem CID42781088
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNOS/c18-15-8-4-7-14(12-15)17-19(9-10-21-17)16(20)11-13-5-2-1-3-6-13/h1-8,12,17H,9-11H2
InChIKeyKPOKXLCRLHJKOY-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenylacetamide
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2-(3-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
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2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2860026
2-Phenyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840183
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-fluorobenzyl)benzamide
CID 16013228
N-[2-(3-Chloro-benzylsulfanyl)-ethyl]-benzamide
CID 46868360
3,3'-(Ethane-1,2-diyl)bis(2-(3-chlorophenyl)-1,3-thiazolidin-4-onato)
CID 3066276
2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2860025
2-(4-Chlorophenyl)-3-[2-(piperidin-1-yl)ethyl]-1,3-thiazolidin-4-one
CID 2881531
3-Cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one
CID 5011007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone (CID 42781088) is 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The InChIKey is KPOKXLCRLHJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-15-8-4-7-14(12-15)17-19(9-10-21-17)16(20)11-13-5-2-1-3-6-13/h1-8,12,17H,9-11H2.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone has a molecular weight of 317.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 42781088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).