N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

C17H16N4O3S2 — CID 135825091

IUPACN-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21)/b18-9-
InChIKeyBJGFUBDYLKHDIC-NVMNQCDNSA-N
MW388.47 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 135825091) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID135825091
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21)/b18-9-
InChIKeyBJGFUBDYLKHDIC-NVMNQCDNSA-N
XLogP3.99
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

(Z)-N-(2-(2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl)-4-(p-tolyl)thiazol-5-yl)acetamide
CID 135825093
N-{2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
CID 9635457
(E)-N-(2-(1-cyano-2-(3-ethoxy-4-hydroxyphenyl)vinyl)-4-(thiophen-2-yl)thiazol-5-yl)acetamide
CID 135517159
N-{2-[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}acetamide
CID 135650119
(Z)-N-(2-(2-(4-hydroxybenzylidene)hydrazinyl)-4-(thiophen-2-yl)thiazol-5-yl)acetamide
CID 135845987
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-(p-tolyl)thiazol-5-yl)acetamide
CID 135825092
5-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9582532
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 171350792
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-5-thiazolyl]acetamide
CID 3777098
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[4-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 136240205
3-Ethoxy-4-hydroxybenzaldehyde (5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 135825091) is N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is COc1cc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O.
What is the InChIKey of N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is BJGFUBDYLKHDIC-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21)/b18-9-.
What are the key properties of N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 135825091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).