N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C18H17N5OS2 — CID 11783932

IUPACN-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(/C=N\NC(=O)CSc2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C18H17N5OS2/c1-12-6-7-13(2)14(9-12)10-20-21-16(24)11-25-18-23-22-17(26-18)15-5-3-4-8-19-15/h3-10H,11H2,1-2H3,(H,21,24)/b20-10-
InChIKeyOTKOMQSDMVRQKP-JMIUGGIZSA-N
MW383.50 g/mol
LogP3.46
Rot. Bonds6

About N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 11783932) has the molecular formula C18H17N5OS2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID11783932
Molecular FormulaC18H17N5OS2
Molecular Weight383.50 g/mol
Exact Mass383.09
IUPAC NameN-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(/C=N\NC(=O)CSc2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C18H17N5OS2/c1-12-6-7-13(2)14(9-12)10-20-21-16(24)11-25-18-23-22-17(26-18)15-5-3-4-8-19-15/h3-10H,11H2,1-2H3,(H,21,24)/b20-10-
InChIKeyOTKOMQSDMVRQKP-JMIUGGIZSA-N
XLogP3.46
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.46
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

N-[(Z)-(2-methylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 10893952
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 11133131
2-[2-[(E)-[[2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6863050
N-[(E)-(2-methylphenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6887950
2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6863775
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 136726946
2-[3-[(E)-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 6890465
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 135597835
N-[(E)-(4-methylphenyl)methylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6867260
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6862991
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6862899

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 11783932) is N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1ccc(C)c(/C=N\NC(=O)CSc2nnc(-c3ccccn3)s2)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OTKOMQSDMVRQKP-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H17N5OS2/c1-12-6-7-13(2)14(9-12)10-20-21-16(24)11-25-18-23-22-17(26-18)15-5-3-4-8-19-15/h3-10H,11H2,1-2H3,(H,21,24)/b20-10-.
What are the key properties of N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 11783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).