(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C20H15N3O2S — CID 2714174

IUPAC(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C20H15N3O2S/c21-13-17(19(24)23-20-22-10-11-26-20)12-16-8-4-5-9-18(16)25-14-15-6-2-1-3-7-15/h1-12H,14H2,(H,22,23,24)/b17-12+
InChIKeyFEWKMBYQXAYCST-SFQUDFHCSA-N
MW361.43 g/mol
LogP4.27
Rot. Bonds6

About (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2714174) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2714174
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C20H15N3O2S/c21-13-17(19(24)23-20-22-10-11-26-20)12-16-8-4-5-9-18(16)25-14-15-6-2-1-3-7-15/h1-12H,14H2,(H,22,23,24)/b17-12+
InChIKeyFEWKMBYQXAYCST-SFQUDFHCSA-N
XLogP4.27
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 19206693
2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 4878324
(E)-2-cyano-3-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 40646479
(E)-2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2493822
(E)-2-cyano-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714162
4-[[(E)-2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912238
(E)-2-cyano-3-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-(1-phenylethyl)prop-2-enamide
CID 6197272
2-cyano-3-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-(1-phenylethyl)prop-2-enamide
CID 4710730
(Z)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 170913286
(Z)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 170913696
2-cyano-3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]-N-phenylprop-2-enamide
CID 3278161
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 2714174) is (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is FEWKMBYQXAYCST-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H15N3O2S/c21-13-17(19(24)23-20-22-10-11-26-20)12-16-8-4-5-9-18(16)25-14-15-6-2-1-3-7-15/h1-12H,14H2,(H,22,23,24)/b17-12+.
What are the key properties of (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 361.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2714174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).