(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide

C22H22N4O2S — CID 126568714

IUPAC(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cnccc1-c1cncs1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-20(18)21-14-24-16-29-21)25-19-4-1-17(2-5-19)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+
InChIKeyRRUNJKSXHDYIGD-ZZXKWVIFSA-N
MW406.51 g/mol
LogP3.69
Rot. Bonds6

About (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide

(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 126568714) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
PubChem CID126568714
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cnccc1-c1cncs1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-20(18)21-14-24-16-29-21)25-19-4-1-17(2-5-19)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+
InChIKeyRRUNJKSXHDYIGD-ZZXKWVIFSA-N
XLogP3.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(morpholin-4-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644846
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568478
(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568570
5-[3-[(E)-3-[4-(morpholin-4-ylmethyl)anilino]-3-oxoprop-1-enyl]-4-pyridinyl]thiophene-2-carboxamide
CID 126568696
(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626673
N-(4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449427
1-(3-pyridinylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]-3-piperidinecarboxamide
CID 45240498
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
CID 126568390
(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568441
(E)-N-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
CID 126568555
N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
CID 134805982
N-(4-morpholin-4-ylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9504816

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide (CID 126568714) is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cnccc1-c1cncs1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is RRUNJKSXHDYIGD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-20(18)21-14-24-16-29-21)25-19-4-1-17(2-5-19)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+.
What are the key properties of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 406.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 126568714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).