(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide

C19H17N3OS — CID 166627233

IUPAC(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCc1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1
InChIInChI=1S/C19H17N3OS/c1-13-5-4-6-14(11-13)19-21-12-15(24-19)9-10-18(23)22-17-8-3-2-7-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b10-9+
InChIKeyNOBKNKPBZDHMPN-MDZDMXLPSA-N
MW335.43 g/mol
LogP4.35
Rot. Bonds4

About (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166627233) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166627233
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCc1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1
InChIInChI=1S/C19H17N3OS/c1-13-5-4-6-14(11-13)19-21-12-15(24-19)9-10-18(23)22-17-8-3-2-7-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b10-9+
InChIKeyNOBKNKPBZDHMPN-MDZDMXLPSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
CID 10193406
n-(2-Aminophenyl)-4-{5-[(ethylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 11638904
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
N-(2-aminophenyl)-4-{5-[(propylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 25023855
3-Anilino-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5919925
N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 118716532
(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166630143
2-(4-methylphenyl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122190918
3-(2-methylpropanoylamino)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide
CID 141730975
N-(2-aminophenyl)-4-[[[4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzoyl]amino]methyl]benzamide
CID 175460362
N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide
CID 175460363

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166627233) is (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is Cc1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is NOBKNKPBZDHMPN-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-5-4-6-14(11-13)19-21-12-15(24-19)9-10-18(23)22-17-8-3-2-7-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b10-9+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 335.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166627233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).