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

C24H25N3O4S — CID 155515525

IUPAC(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C24H25N3O4S/c1-29-19-9-8-18(16-20(19)30-2)25-22(28)11-10-21-23(17-6-4-3-5-7-17)26-24(32-21)27-12-14-31-15-13-27/h3-11,16H,12-15H2,1-2H3,(H,25,28)/b11-10+
InChIKeyFJADLCHMYSXDAL-ZHACJKMWSA-N
MW451.55 g/mol
LogP4.32
Rot. Bonds7

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

(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 155515525) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID155515525
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C24H25N3O4S/c1-29-19-9-8-18(16-20(19)30-2)25-22(28)11-10-21-23(17-6-4-3-5-7-17)26-24(32-21)27-12-14-31-15-13-27/h3-11,16H,12-15H2,1-2H3,(H,25,28)/b11-10+
InChIKeyFJADLCHMYSXDAL-ZHACJKMWSA-N
XLogP4.32
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155537493
(E)-N-(4-bromophenyl)-3-[4-(4-methoxyphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]prop-2-enamide
CID 155549788
(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155531820
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 8856182
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 1232475
(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 155512974
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one
CID 39859306
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
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexa-2,4-dienamide
CID 74551313

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide (CID 155515525) is (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is FJADLCHMYSXDAL-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-29-19-9-8-18(16-20(19)30-2)25-22(28)11-10-21-23(17-6-4-3-5-7-17)26-24(32-21)27-12-14-31-15-13-27/h3-11,16H,12-15H2,1-2H3,(H,25,28)/b11-10+.
What are the key properties of (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 451.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 155515525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).