(E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide

C19H19N5O3S — CID 55619378

IUPAC(E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide
SMILESCOc1ccnc(NNC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)n1
InChIInChI=1S/C19H19N5O3S/c1-13-21-15(12-28-13)11-27-16-5-3-4-14(10-16)6-7-17(25)23-24-19-20-9-8-18(22-19)26-2/h3-10,12H,11H2,1-2H3,(H,23,25)(H,20,22,24)/b7-6+
InChIKeyULCYRBYFAODVGM-VOTSOKGWSA-N
MW397.46 g/mol
LogP2.99
Rot. Bonds8

About (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide

(E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide (PubChem CID 55619378) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide
PubChem CID55619378
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name(E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide
SMILESCOc1ccnc(NNC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)n1
InChIInChI=1S/C19H19N5O3S/c1-13-21-15(12-28-13)11-27-16-5-3-4-14(10-16)6-7-17(25)23-24-19-20-9-8-18(22-19)26-2/h3-10,12H,11H2,1-2H3,(H,23,25)(H,20,22,24)/b7-6+
InChIKeyULCYRBYFAODVGM-VOTSOKGWSA-N
XLogP2.99
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-methoxyphenyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16590331
dimethyl 5-[[(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]benzene-1,3-dicarboxylate
CID 24592836
(E)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 56569253
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(1-phenylethyl)prop-2-enamide
CID 16590226
(E)-N-(2-iodophenyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16590459
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 46571641
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(1-pyridin-2-ylethyl)prop-2-enamide
CID 46491012
(E)-N-(2-methylsulfanylphenyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24593016
N-(4-methylcyclohexyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 74300519
(E)-N-(2,4-difluorophenyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591141
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 86950525
N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 103598767

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide (CID 55619378) is (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide is COc1ccnc(NNC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)n1.
What is the InChIKey of (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide?
The InChIKey is ULCYRBYFAODVGM-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-13-21-15(12-28-13)11-27-16-5-3-4-14(10-16)6-7-17(25)23-24-19-20-9-8-18(22-19)26-2/h3-10,12H,11H2,1-2H3,(H,23,25)(H,20,22,24)/b7-6+.
What are the key properties of (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide?
(E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide has a molecular weight of 397.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-methoxypyrimidin-2-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enehydrazide is sourced from PubChem (CID 55619378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).