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

C19H17N3O2S — CID 166627826

IUPAC(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-14-8-6-13(7-9-14)19-21-12-15(25-19)10-11-18(23)22-17-5-3-2-4-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b11-10+
InChIKeyHYVOBVJIELUKNJ-ZHACJKMWSA-N
MW351.43 g/mol
LogP4.05
Rot. Bonds5

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

(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166627826) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166627826
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-14-8-6-13(7-9-14)19-21-12-15(25-19)10-11-18(23)22-17-5-3-2-4-16(17)20/h2-12H,20H2,1H3,(H,22,23)/b11-10+
InChIKeyHYVOBVJIELUKNJ-ZHACJKMWSA-N
XLogP4.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166627826) is (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is COc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is HYVOBVJIELUKNJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-14-8-6-13(7-9-14)19-21-12-15(25-19)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-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 351.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166627826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).