(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide

C19H17N3OS — CID 166630143

IUPAC(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1
InChIInChI=1S/C19H17N3OS/c1-13-6-8-14(9-7-13)19-21-12-15(24-19)10-11-18(23)22-17-5-3-2-4-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b11-10+
InChIKeyAAYOSSXPRPPALW-ZHACJKMWSA-N
MW335.43 g/mol
LogP4.35
Rot. Bonds4

About (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166630143) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166630143
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1
InChIInChI=1S/C19H17N3OS/c1-13-6-8-14(9-7-13)19-21-12-15(24-19)10-11-18(23)22-17-5-3-2-4-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b11-10+
InChIKeyAAYOSSXPRPPALW-ZHACJKMWSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166630143) is (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is Cc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is AAYOSSXPRPPALW-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-6-8-14(9-7-13)19-21-12-15(24-19)10-11-18(23)22-17-5-3-2-4-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b11-10+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(4-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-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166630143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).