(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide

C22H22N4O2S — CID 155531820

IUPAC(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C22H22N4O2S/c23-17-8-4-5-9-18(17)24-20(27)11-10-19-21(16-6-2-1-3-7-16)25-22(29-19)26-12-14-28-15-13-26/h1-11H,12-15,23H2,(H,24,27)/b11-10+
InChIKeyAICSJAMKKBBOCF-ZHACJKMWSA-N
MW406.51 g/mol
LogP3.88
Rot. Bonds5

About (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide

(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 155531820) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID155531820
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C22H22N4O2S/c23-17-8-4-5-9-18(17)24-20(27)11-10-19-21(16-6-2-1-3-7-16)25-22(29-19)26-12-14-28-15-13-26/h1-11H,12-15,23H2,(H,24,27)/b11-10+
InChIKeyAICSJAMKKBBOCF-ZHACJKMWSA-N
XLogP3.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 155512974
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155515525
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 8856182
(E)-N-(4-bromophenyl)-3-[4-(4-methoxyphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]prop-2-enamide
CID 155549788
(E)-3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155537493
2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
CID 3405666
methyl 1,3,3-trimethyl-2-[(E)-2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)ethenyl]-1,2-dihydroindol-1-ium-5-carboxylate
CID 147632183
(E)-N-butyl-2-cyano-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 8866605
(E)-2-(4-chlorophenyl)sulfonyl-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enenitrile
CID 2423405

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide (CID 155531820) is (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is AICSJAMKKBBOCF-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H22N4O2S/c23-17-8-4-5-9-18(17)24-20(27)11-10-19-21(16-6-2-1-3-7-16)25-22(29-19)26-12-14-28-15-13-26/h1-11H,12-15,23H2,(H,24,27)/b11-10+.
What are the key properties of (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 406.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 155531820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).