(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one

C18H15ClFNOS — CID 122329427

IUPAC(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1F)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C18H15ClFNOS/c19-15-7-3-2-6-14(15)18-21(11-12-23-18)17(22)10-9-13-5-1-4-8-16(13)20/h1-10,18H,11-12H2/b10-9+
InChIKeyCTXSRPZKEYWVLI-MDZDMXLPSA-N
MW347.84 g/mol
LogP4.77
Rot. Bonds3

About (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one

(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one (PubChem CID 122329427) has the molecular formula C18H15ClFNOS and a molecular weight of 347.84 g/mol. Its IUPAC name is (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one
PubChem CID122329427
Molecular FormulaC18H15ClFNOS
Molecular Weight347.84 g/mol
Exact Mass347.05
IUPAC Name(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1F)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C18H15ClFNOS/c19-15-7-3-2-6-14(15)18-21(11-12-23-18)17(22)10-9-13-5-1-4-8-16(13)20/h1-10,18H,11-12H2/b10-9+
InChIKeyCTXSRPZKEYWVLI-MDZDMXLPSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 122329426
(E)-3-(2-fluorophenyl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one
CID 122330857
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329376
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122329440
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 122329384
[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium
CID 7361628
[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium
CID 7414739
(E)-3-(2-methylphenyl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one
CID 122330856
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
(E)-3-(2-fluorophenyl)-1-(1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 122332156
(2S)-1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92919828
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 122329430

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one (CID 122329427) is (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1F)N1CCSC1c1ccccc1Cl.
What is the InChIKey of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one?
The InChIKey is CTXSRPZKEYWVLI-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15ClFNOS/c19-15-7-3-2-6-14(15)18-21(11-12-23-18)17(22)10-9-13-5-1-4-8-16(13)20/h1-10,18H,11-12H2/b10-9+.
What are the key properties of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one?
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one has a molecular weight of 347.84 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 122329427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).