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

C13H14N4O2S2 — CID 40598048

IUPACN-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESC/C(=N\NC(=O)CSc1nnc(C)s1)c1cccc(O)c1
InChIInChI=1S/C13H14N4O2S2/c1-8(10-4-3-5-11(18)6-10)14-16-12(19)7-20-13-17-15-9(2)21-13/h3-6,18H,7H2,1-2H3,(H,16,19)/b14-8+
InChIKeyOGFPACURHVXHHP-RIYZIHGNSA-N
MW322.42 g/mol
LogP2.18
Rot. Bonds5

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

N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 40598048) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID40598048
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESC/C(=N\NC(=O)CSc1nnc(C)s1)c1cccc(O)c1
InChIInChI=1S/C13H14N4O2S2/c1-8(10-4-3-5-11(18)6-10)14-16-12(19)7-20-13-17-15-9(2)21-13/h3-6,18H,7H2,1-2H3,(H,16,19)/b14-8+
InChIKeyOGFPACURHVXHHP-RIYZIHGNSA-N
XLogP2.18
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 136726946
N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(3,4-dichlorophenyl)ethylideneamino]acetamide
CID 3593206
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-phenylethylideneamino)acetamide
CID 3762020
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6374646
N-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507443
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[1-(4-bromophenyl)ethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3729360
2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 6392890
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 135421226
N-[1-(4-chlorophenyl)ethylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3850622

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 40598048) is N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is C/C(=N\NC(=O)CSc1nnc(C)s1)c1cccc(O)c1.
What is the InChIKey of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OGFPACURHVXHHP-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-8(10-4-3-5-11(18)6-10)14-16-12(19)7-20-13-17-15-9(2)21-13/h3-6,18H,7H2,1-2H3,(H,16,19)/b14-8+.
What are the key properties of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 322.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 40598048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).