(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide

C25H27N3O2S — CID 108768919

IUPAC(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
SMILESCN(Cc1csc(CN2CCOCC2)n1)C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-27(17-22-19-31-24(26-22)18-28-12-14-30-15-13-28)25(29)23(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-11,16,19H,12-15,17-18H2,1H3/b23-16-
InChIKeyXGEVTWHTWUCESM-KQWNVCNZSA-N
MW433.58 g/mol
LogP4.17
Rot. Bonds7

About (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide

(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide (PubChem CID 108768919) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
PubChem CID108768919
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
SMILESCN(Cc1csc(CN2CCOCC2)n1)C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-27(17-22-19-31-24(26-22)18-28-12-14-30-15-13-28)25(29)23(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-11,16,19H,12-15,17-18H2,1H3/b23-16-
InChIKeyXGEVTWHTWUCESM-KQWNVCNZSA-N
XLogP4.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide with MolForge

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Related Compounds

N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108768953
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxalin-2-amine
CID 108778800
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide (CID 108768919) is (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide is CN(Cc1csc(CN2CCOCC2)n1)C(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide?
The InChIKey is XGEVTWHTWUCESM-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-27(17-22-19-31-24(26-22)18-28-12-14-30-15-13-28)25(29)23(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-11,16,19H,12-15,17-18H2,1H3/b23-16-.
What are the key properties of (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide?
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide has a molecular weight of 433.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 108768919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).