(Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C19H16FN3O2S — CID 146215730

IUPAC(Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCN/C(=C\c1ccc(O)cc1F)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16FN3O2S/c1-21-16(9-13-7-8-14(24)10-15(13)20)18(25)23-19-22-17(11-26-19)12-5-3-2-4-6-12/h2-11,21,24H,1H3,(H,22,23,25)/b16-9-
InChIKeyISOJGBKOFHLGGI-SXGWCWSVSA-N
MW369.42 g/mol
LogP3.85
Rot. Bonds5

About (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 146215730) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID146215730
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name(Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCN/C(=C\c1ccc(O)cc1F)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16FN3O2S/c1-21-16(9-13-7-8-14(24)10-15(13)20)18(25)23-19-22-17(11-26-19)12-5-3-2-4-6-12/h2-11,21,24H,1H3,(H,22,23,25)/b16-9-
InChIKeyISOJGBKOFHLGGI-SXGWCWSVSA-N
XLogP3.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide 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

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
(E)-3-(3,4-dimethoxyphenyl)-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108769745
(E)-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 146205772
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
(E)-3-(2-bromo-3,4-dihydroxyphenyl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 146190015
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[(E)-3-[3-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylanilino]-1-(4-hydroxy-2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19304648
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 146190091
3-[2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]prop-1-enyl]benzoic acid
CID 146190237
copper;bis(1-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea)
CID 135409898
(E)-2-cyano-3-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 19175621

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 146215730) is (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is CN/C(=C\c1ccc(O)cc1F)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is ISOJGBKOFHLGGI-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-21-16(9-13-7-8-14(24)10-15(13)20)18(25)23-19-22-17(11-26-19)12-5-3-2-4-6-12/h2-11,21,24H,1H3,(H,22,23,25)/b16-9-.
What are the key properties of (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
(Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 369.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluoro-4-hydroxyphenyl)-2-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 146215730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).