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

C23H24N4O2S — CID 126568441

IUPAC(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCc1ncc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C23H24N4O2S/c1-17-25-15-22(30-17)21-8-9-24-14-19(21)4-7-23(28)26-20-5-2-18(3-6-20)16-27-10-12-29-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+
InChIKeySAROACZXIFZVMN-QPJJXVBHSA-N
MW420.54 g/mol
LogP4.00
Rot. Bonds6

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

(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568441) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568441
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCc1ncc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C23H24N4O2S/c1-17-25-15-22(30-17)21-8-9-24-14-19(21)4-7-23(28)26-20-5-2-18(3-6-20)16-27-10-12-29-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+
InChIKeySAROACZXIFZVMN-QPJJXVBHSA-N
XLogP4.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.00
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-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
CID 126568714
N-{3-[morpholin-4-yl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide
CID 3897559
2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole
CID 162664148
2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
CID 162676326
(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626673
US11319299, Example 748
CID 138541647
US11319299, Example 751
CID 164608259
N-(4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449427

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568441) is (E)-3-[4-(2-methyl-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-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is Cc1ncc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1.
What is the InChIKey of (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is SAROACZXIFZVMN-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-17-25-15-22(30-17)21-8-9-24-14-19(21)4-7-23(28)26-20-5-2-18(3-6-20)16-27-10-12-29-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+.
What are the key properties of (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 420.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).