N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C21H22N4O3S — CID 135825093

IUPACN-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C21H22N4O3S/c1-4-28-18-11-15(7-10-17(18)27)12-22-25-21-24-19(20(29-21)23-14(3)26)16-8-5-13(2)6-9-16/h5-12,27H,4H2,1-3H3,(H,23,26)(H,24,25)/b22-12-
InChIKeyFMMCMMLVNWOFPC-UUYOSTAYSA-N
MW410.50 g/mol
LogP4.63
Rot. Bonds7

About N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 135825093) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID135825093
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C21H22N4O3S/c1-4-28-18-11-15(7-10-17(18)27)12-22-25-21-24-19(20(29-21)23-14(3)26)16-8-5-13(2)6-9-16/h5-12,27H,4H2,1-3H3,(H,23,26)(H,24,25)/b22-12-
InChIKeyFMMCMMLVNWOFPC-UUYOSTAYSA-N
XLogP4.63
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-{2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
CID 9635457
N-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
CID 135558950
N-{2-[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}acetamide
CID 135650119
(E)-2-Methoxy-5-((2-(4-(4-methoxyphenyl)thiazol-2-yl)-hydrazono)methyl)-phenol (20)
CID 91937816
N-{2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
CID 9637116
(Z)-N-(2-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-4-(thiophen-2-yl)thiazol-5-yl)acetamide
CID 135825091
(Z)-N-(2-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-4-(p-tolyl)thiazol-5-yl)acetamide
CID 135825092
5-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9582532
4-{(1E)-2-[(4,5-diphenyl(1,3-thiazol-2-yl))amino]-2-azavinyl}-2,6-dimethoxyphe nol
CID 135454388
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 171350792
2-ethoxy-4-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135501476
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-5-thiazolyl]acetamide
CID 3777098

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 135825093) is N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O.
What is the InChIKey of N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is FMMCMMLVNWOFPC-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-4-28-18-11-15(7-10-17(18)27)12-22-25-21-24-19(20(29-21)23-14(3)26)16-8-5-13(2)6-9-16/h5-12,27H,4H2,1-3H3,(H,23,26)(H,24,25)/b22-12-.
What are the key properties of N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 135825093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).