N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H17N5O2S — CID 5422183

IUPACN-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cccc(/C(C)=N\NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C14H17N5O2S/c1-10(11-5-4-6-12(7-11)21-3)16-17-13(20)8-22-14-18-15-9-19(14)2/h4-7,9H,8H2,1-3H3,(H,17,20)/b16-10-
InChIKeyARJYYYVUXLFOLX-YBEGLDIGSA-N
MW319.39 g/mol
LogP1.46
Rot. Bonds6

About N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 5422183) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID5422183
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cccc(/C(C)=N\NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C14H17N5O2S/c1-10(11-5-4-6-12(7-11)21-3)16-17-13(20)8-22-14-18-15-9-19(14)2/h4-7,9H,8H2,1-3H3,(H,17,20)/b16-10-
InChIKeyARJYYYVUXLFOLX-YBEGLDIGSA-N
XLogP1.46
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9121585
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 136808329
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 135688306
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
CID 6184985
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
CID 4682962
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 3786405
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
2-[[4-amino-5-[(2E)-2-[1-(3-methoxyphenyl)ethylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone
CID 17076971
2-(benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 5080469
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506053
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-(4-acetylphenyl)-2-[[4-amino-5-[(2E)-2-[1-(3-methoxyphenyl)ethylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17077001

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 5422183) is N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1cccc(/C(C)=N\NC(=O)CSc2nncn2C)c1.
What is the InChIKey of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ARJYYYVUXLFOLX-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10(11-5-4-6-12(7-11)21-3)16-17-13(20)8-22-14-18-15-9-19(14)2/h4-7,9H,8H2,1-3H3,(H,17,20)/b16-10-.
What are the key properties of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 5422183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).