N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C14H16N4O2S2 — CID 6375861

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CSc2nnc(C)s2)cc1
InChIInChI=1S/C14H16N4O2S2/c1-9(11-4-6-12(20-3)7-5-11)15-17-13(19)8-21-14-18-16-10(2)22-14/h4-7H,8H2,1-3H3,(H,17,19)/b15-9-
InChIKeyZHTZPDIXNNTIBM-DHDCSXOGSA-N
MW336.44 g/mol
LogP2.49
Rot. Bonds6

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 6375861) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID6375861
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CSc2nnc(C)s2)cc1
InChIInChI=1S/C14H16N4O2S2/c1-9(11-4-6-12(20-3)7-5-11)15-17-13(19)8-21-14-18-16-10(2)22-14/h4-7H,8H2,1-3H3,(H,17,19)/b15-9-
InChIKeyZHTZPDIXNNTIBM-DHDCSXOGSA-N
XLogP2.49
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 6375861) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COc1ccc(/C(C)=N\NC(=O)CSc2nnc(C)s2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZHTZPDIXNNTIBM-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-9(11-4-6-12(20-3)7-5-11)15-17-13(19)8-21-14-18-16-10(2)22-14/h4-7H,8H2,1-3H3,(H,17,19)/b15-9-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6375861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).