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

C18H14ClN3OS — CID 166625910

IUPAC(E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H14ClN3OS/c19-13-7-5-12(6-8-13)18-21-11-14(24-18)9-10-17(23)22-16-4-2-1-3-15(16)20/h1-11H,20H2,(H,22,23)/b10-9+
InChIKeyNBGPICTUOSVSEQ-MDZDMXLPSA-N
MW355.85 g/mol
LogP4.70
Rot. Bonds4

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

(E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166625910) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166625910
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H14ClN3OS/c19-13-7-5-12(6-8-13)18-21-11-14(24-18)9-10-17(23)22-16-4-2-1-3-15(16)20/h1-11H,20H2,(H,22,23)/b10-9+
InChIKeyNBGPICTUOSVSEQ-MDZDMXLPSA-N
XLogP4.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.70
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-{5-[(ethylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 11638904
N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
CID 10193406
N-(2-aminophenyl)-4-{5-[(propylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 25023855
N4-(4-chlorobenzyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824334
(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166627233
(E)-N-(2-aminophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166630143
(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166627712
(E)-N-(2-aminophenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166634052
(E)-N-(2-aminophenyl)-3-[2-(3-tert-butylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166634815
[4-(2-Amino-5-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-2-yl)methanone
CID 172458276
(E)-N-(2-aminophenyl)-3-[4-[5-(anilinomethyl)-1,3-thiazol-2-yl]phenyl]prop-2-enamide
CID 177380423
N-[(4-Chlorophenyl)methyl]-4-(pyridin-4-YL)-1,3-thiazole-2-carboxamide
CID 53158268

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166625910) is (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is NBGPICTUOSVSEQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-13-7-5-12(6-8-13)18-21-11-14(24-18)9-10-17(23)22-16-4-2-1-3-15(16)20/h1-11H,20H2,(H,22,23)/b10-9+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 355.85 g/mol, XLogP of 4.70, 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-chlorophenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166625910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).