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

C22H22N4O2S — CID 126568390

IUPAC(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cnccc1-c1ccns1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H22N4O2S/c27-22(6-3-18-15-23-9-7-20(18)21-8-10-24-29-21)25-19-4-1-17(2-5-19)16-26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,25,27)/b6-3+
InChIKeySWJIQRPYYKWHCS-ZZXKWVIFSA-N
MW406.51 g/mol
LogP3.69
Rot. Bonds6

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

(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 126568390) 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-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
PubChem CID126568390
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cnccc1-c1ccns1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H22N4O2S/c27-22(6-3-18-15-23-9-7-20(18)21-8-10-24-29-21)25-19-4-1-17(2-5-19)16-26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,25,27)/b6-3+
InChIKeySWJIQRPYYKWHCS-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

(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
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568661
5-[3-[(E)-3-[4-(morpholin-4-ylmethyl)anilino]-3-oxoprop-1-enyl]-4-pyridinyl]thiophene-2-carboxamide
CID 126568696
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
CID 126568714
(E)-N-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568746
(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568441
(E)-3-[4-(1-ethylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568520
(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
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 126568664
(E)-3-[4-(4-fluorophenyl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 89510595
(E)-3-[4-[(Z)-2-(benzylamino)-1-fluoroethenyl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329027

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide (CID 126568390) is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cnccc1-c1ccns1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is SWJIQRPYYKWHCS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C22H22N4O2S/c27-22(6-3-18-15-23-9-7-20(18)21-8-10-24-29-21)25-19-4-1-17(2-5-19)16-26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,25,27)/b6-3+.
What are the key properties of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-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-(1,2-thiazol-5-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 126568390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).