(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide

C20H16F2N2OS — CID 49334020

IUPAC(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cscn1)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H16F2N2OS/c21-16-5-1-3-14(9-16)10-19(15-4-2-6-17(22)11-15)24-20(25)8-7-18-12-26-13-23-18/h1-9,11-13,19H,10H2,(H,24,25)/b8-7+
InChIKeyOSJAFUKAJJRDGZ-BQYQJAHWSA-N
MW370.42 g/mol
LogP4.53
Rot. Bonds6

About (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 49334020) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID49334020
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cscn1)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H16F2N2OS/c21-16-5-1-3-14(9-16)10-19(15-4-2-6-17(22)11-15)24-20(25)8-7-18-12-26-13-23-18/h1-9,11-13,19H,10H2,(H,24,25)/b8-7+
InChIKeyOSJAFUKAJJRDGZ-BQYQJAHWSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975659
N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 49011755
(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346
(E)-N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95336788
1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65018114
(E)-N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide;dihydrochloride
CID 42635931
N-[1,2-bis(3-fluorophenyl)ethyl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 49011641
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate
CID 102132663
N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
CID 146094351
(E)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95316902

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 49334020) is (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide is O=C(/C=C/c1cscn1)NC(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is OSJAFUKAJJRDGZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c21-16-5-1-3-14(9-16)10-19(15-4-2-6-17(22)11-15)24-20(25)8-7-18-12-26-13-23-18/h1-9,11-13,19H,10H2,(H,24,25)/b8-7+.
What are the key properties of (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 370.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 49334020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).