2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

C22H19N5O2S — CID 1419519

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)s1
InChIInChI=1S/C22H19N5O2S/c23-22-27-26-21(30-22)12-20(28)25-24-13-15-8-10-18(11-9-15)29-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,13H,12,14H2,(H2,23,27)(H,25,28)
InChIKeyPAYUNHJFMZZKPP-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.55
Rot. Bonds7

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide (PubChem CID 1419519) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
PubChem CID1419519
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)s1
InChIInChI=1S/C22H19N5O2S/c23-22-27-26-21(30-22)12-20(28)25-24-13-15-8-10-18(11-9-15)29-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,13H,12,14H2,(H2,23,27)(H,25,28)
InChIKeyPAYUNHJFMZZKPP-UHFFFAOYSA-N
XLogP3.55
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.55
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 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5349866
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6875423
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 714368
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 5414413
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 44537677
2-methyl-N-[5-[2-[2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3695897
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[3-ethoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylideneamino]acetamide
CID 4195609
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931002

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide (CID 1419519) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is Nc1nnc(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is PAYUNHJFMZZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c23-22-27-26-21(30-22)12-20(28)25-24-13-15-8-10-18(11-9-15)29-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,13H,12,14H2,(H2,23,27)(H,25,28).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 417.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 1419519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).