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

C23H24N4O3S — CID 126568570

IUPAC(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ncc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C23H24N4O3S/c1-29-23-25-15-21(31-23)20-8-9-24-14-18(20)4-7-22(28)26-19-5-2-17(3-6-19)16-27-10-12-30-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+
InChIKeyMEFSUICXZJQPFL-QPJJXVBHSA-N
MW436.54 g/mol
LogP3.70
Rot. Bonds7

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

(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568570) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568570
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ncc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C23H24N4O3S/c1-29-23-25-15-21(31-23)20-8-9-24-14-18(20)4-7-22(28)26-19-5-2-17(3-6-19)16-27-10-12-30-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+
InChIKeyMEFSUICXZJQPFL-QPJJXVBHSA-N
XLogP3.70
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.70
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-(2,3-dihydro-1H-triazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 146206201
(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568457
(E)-3-[4-(1-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide
CID 126568589
(E)-3-[4-[3-(2-hydroxyethyl)benzimidazol-5-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329162
(E)-3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329617
(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568380
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
(E)-N-[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568469
1-[[4-[[(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enoyl]amino]phenyl]methyl]piperidine-3-carboxylic acid
CID 126568497
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568458

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568570) is (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is COc1ncc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1.
What is the InChIKey of (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is MEFSUICXZJQPFL-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-29-23-25-15-21(31-23)20-8-9-24-14-18(20)4-7-22(28)26-19-5-2-17(3-6-19)16-27-10-12-30-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+.
What are the key properties of (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 436.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).