ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate

C14H14N2O2S — CID 15053530

IUPACethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1csc(Nc2ccccc2)n1
InChIInChI=1S/C14H14N2O2S/c1-2-18-13(17)9-8-12-10-19-14(16-12)15-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,15,16)/b9-8+
InChIKeyLUEXVTYUUABBNK-CMDGGOBGSA-N
MW274.35 g/mol
LogP3.46
Rot. Bonds5

About ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate

ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate (PubChem CID 15053530) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
PubChem CID15053530
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Nameethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1csc(Nc2ccccc2)n1
InChIInChI=1S/C14H14N2O2S/c1-2-18-13(17)9-8-12-10-19-14(16-12)15-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,15,16)/b9-8+
InChIKeyLUEXVTYUUABBNK-CMDGGOBGSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate 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

3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoic acid
CID 173392183
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl (E)-3-[2-[[1-(cyclohexylmethyl)pyrrol-3-yl]amino]-1,3-thiazol-4-yl]prop-2-enoate;hydrochloride
CID 175249652
2-anilino-1,3-thiazole-4-carbaldehyde
CID 15053570
ethyl (E)-3-(4-amino-2-anilinopyrimidin-5-yl)prop-2-enoate
CID 18375025
3-[6-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]prop-2-enoic acid
CID 67083970
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
CID 169480330
ethyl 4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 39894500
ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 67526445
[3-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 24671230
ethyl 3-(6-amino-2-pyridinyl)prop-2-enoate
CID 169480000

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate (CID 15053530) is ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate is CCOC(=O)/C=C/c1csc(Nc2ccccc2)n1.
What is the InChIKey of ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate?
The InChIKey is LUEXVTYUUABBNK-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-18-13(17)9-8-12-10-19-14(16-12)15-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,15,16)/b9-8+.
What are the key properties of ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate?
ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate has a molecular weight of 274.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate is sourced from PubChem (CID 15053530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).