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

C19H18ClNOS — CID 122329426

IUPAC(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1/C=C/C(=O)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C19H18ClNOS/c1-14-6-2-3-7-15(14)10-11-18(22)21-12-13-23-19(21)16-8-4-5-9-17(16)20/h2-11,19H,12-13H2,1H3/b11-10+
InChIKeyIPNKCPXBKSBZFU-ZHACJKMWSA-N
MW343.88 g/mol
LogP4.94
Rot. Bonds3

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

(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one (PubChem CID 122329426) has the molecular formula C19H18ClNOS and a molecular weight of 343.88 g/mol. Its IUPAC name is (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
PubChem CID122329426
Molecular FormulaC19H18ClNOS
Molecular Weight343.88 g/mol
Exact Mass343.08
IUPAC Name(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1/C=C/C(=O)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C19H18ClNOS/c1-14-6-2-3-7-15(14)10-11-18(22)21-12-13-23-19(21)16-8-4-5-9-17(16)20/h2-11,19H,12-13H2,1H3/b11-10+
InChIKeyIPNKCPXBKSBZFU-ZHACJKMWSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 54.94
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-fluorophenyl)prop-2-en-1-one
CID 122329427
(E)-3-(2-methylphenyl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one
CID 122330856
(E)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 122331463
(E)-3-(2-fluorophenyl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one
CID 122330857
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 122329384
(E)-1-[4-chloro-1-(2-hydroxypropan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 58295812
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329376
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 122329430
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122329440
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 122329337

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one (CID 122329426) is (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1/C=C/C(=O)N1CCSC1c1ccccc1Cl.
What is the InChIKey of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is IPNKCPXBKSBZFU-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18ClNOS/c1-14-6-2-3-7-15(14)10-11-18(22)21-12-13-23-19(21)16-8-4-5-9-17(16)20/h2-11,19H,12-13H2,1H3/b11-10+.
What are the key properties of (E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one?
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 343.88 g/mol, XLogP of 4.94, 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-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 122329426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).