5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine

C13H11N3OS — CID 141294551

IUPAC5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine
SMILESNC1N=NC(=COc2cccc3ccccc23)S1
InChIInChI=1S/C13H11N3OS/c14-13-16-15-12(18-13)8-17-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H,14H2
InChIKeyXVEMANYDWIEXKT-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.46
Rot. Bonds2

About 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine

5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine (PubChem CID 141294551) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine
PubChem CID141294551
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine
SMILESNC1N=NC(=COc2cccc3ccccc23)S1
InChIInChI=1S/C13H11N3OS/c14-13-16-15-12(18-13)8-17-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H,14H2
InChIKeyXVEMANYDWIEXKT-UHFFFAOYSA-N
XLogP3.46
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-yloxymethylidene)benzimidazole
CID 141338963
1-(2,2-difluoroethenoxy)naphthalene
CID 101364927
2-(naphthalen-1-yloxymethyl)thiirane
CID 13117161
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
naphthalen-1-yl sulfamate
CID 25056076
1-(trifluoromethylsulfanyloxy)naphthalene
CID 175533116
4-naphthalen-1-yloxybenzaldehyde
CID 19069208
(naphthalen-1-yloxymethylamino)methanol
CID 54336494
5-bromo-4-naphthalen-1-yloxypyridin-3-amine
CID 103518682
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine (CID 141294551) is 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine is NC1N=NC(=COc2cccc3ccccc23)S1.
What is the InChIKey of 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine?
The InChIKey is XVEMANYDWIEXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-13-16-15-12(18-13)8-17-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H,14H2.
What are the key properties of 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine?
5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 141294551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).