[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate

C18H14N2O3S2 — CID 2383064

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N2O3S2/c21-16(11-23-17(22)9-8-14-7-4-10-24-14)20-18-19-15(12-25-18)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,20,21)/b9-8+
InChIKeyALCCJJJVKCLWKO-CMDGGOBGSA-N
MW370.46 g/mol
LogP4.07
Rot. Bonds6

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2383064) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2383064
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N2O3S2/c21-16(11-23-17(22)9-8-14-7-4-10-24-14)20-18-19-15(12-25-18)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,20,21)/b9-8+
InChIKeyALCCJJJVKCLWKO-CMDGGOBGSA-N
XLogP4.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-oxo-2-((4-phenyl-2-thiazolyl)amino)acetate
CID 1861346
Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-ethoxyethyl ester
CID 3067449
(E)-N-(4-phenylthiazol-2-yl)-3-(thiophen-2-yl)acrylamide
CID 877547
(E)-N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(thiophen-2-yl)acrylamide
CID 6160742
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 781537
Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-methoxyethyl ester
CID 3067448
Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-(2-methoxyethoxy)ethyl ester
CID 3067450
2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 831456
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
CID 2379341
[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2390295
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 2448254
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate
CID 3298282

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2383064) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate is O=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is ALCCJJJVKCLWKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c21-16(11-23-17(22)9-8-14-7-4-10-24-14)20-18-19-15(12-25-18)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,20,21)/b9-8+.
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 370.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2383064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).