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

C22H23N3OS — CID 166634815

IUPAC(E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCC(C)(C)c1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1
InChIInChI=1S/C22H23N3OS/c1-22(2,3)16-8-6-7-15(13-16)21-24-14-17(27-21)11-12-20(26)25-19-10-5-4-9-18(19)23/h4-14H,23H2,1-3H3,(H,25,26)/b12-11+
InChIKeyZIPZMDQPJFJVNO-VAWYXSNFSA-N
MW377.51 g/mol
LogP5.34
Rot. Bonds4

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

(E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166634815) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166634815
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCC(C)(C)c1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1
InChIInChI=1S/C22H23N3OS/c1-22(2,3)16-8-6-7-15(13-16)21-24-14-17(27-21)11-12-20(26)25-19-10-5-4-9-18(19)23/h4-14H,23H2,1-3H3,(H,25,26)/b12-11+
InChIKeyZIPZMDQPJFJVNO-VAWYXSNFSA-N
XLogP5.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.34
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'}

Analyze (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166634815) is (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is CC(C)(C)c1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is ZIPZMDQPJFJVNO-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-22(2,3)16-8-6-7-15(13-16)21-24-14-17(27-21)11-12-20(26)25-19-10-5-4-9-18(19)23/h4-14H,23H2,1-3H3,(H,25,26)/b12-11+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 377.51 g/mol, XLogP of 5.34, 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-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).