(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone

C14H17NOS — CID 177476304

IUPAC(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
SMILESCN1/C(=C\C(=O)c2ccccc2)SCC1(C)C
InChIInChI=1S/C14H17NOS/c1-14(2)10-17-13(15(14)3)9-12(16)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b13-9+
InChIKeyZURMUWLYGSTZJZ-UKTHLTGXSA-N
MW247.36 g/mol
LogP3.17
Rot. Bonds2

About (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone

(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone (PubChem CID 177476304) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
PubChem CID177476304
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
SMILESCN1/C(=C\C(=O)c2ccccc2)SCC1(C)C
InChIInChI=1S/C14H17NOS/c1-14(2)10-17-13(15(14)3)9-12(16)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b13-9+
InChIKeyZURMUWLYGSTZJZ-UKTHLTGXSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)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

(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone
CID 101358988
(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone
CID 5369807
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
CID 2061022
(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
CID 10932882
3-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]propanoic acid
CID 10565216
(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one
CID 10335506
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-naphthalen-2-ylethanone
CID 67980740
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)ethanone
CID 4702134
CID 100937374
CID 100937374
2-(4,5-dimethyldithiol-3-ylidene)-1-phenylethanone
CID 619119

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone?
The IUPAC name of (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone (CID 177476304) is (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone is CN1/C(=C\C(=O)c2ccccc2)SCC1(C)C.
What is the InChIKey of (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone?
The InChIKey is ZURMUWLYGSTZJZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H17NOS/c1-14(2)10-17-13(15(14)3)9-12(16)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b13-9+.
What are the key properties of (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone?
(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone has a molecular weight of 247.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone is sourced from PubChem (CID 177476304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).