N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide

C16H15N3O2S2 — CID 898673

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C16H15N3O2S2/c1-2-22-16-19-18-15(23-16)17-14(20)10-21-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,17,18,20)
InChIKeyCDVIOAVAALDJEQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.82
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 898673) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID898673
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C16H15N3O2S2/c1-2-22-16-19-18-15(23-16)17-14(20)10-21-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,17,18,20)
InChIKeyCDVIOAVAALDJEQ-UHFFFAOYSA-N
XLogP3.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2092314
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(naphthalen-2-yloxy)-acetamide
CID 684783
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(1-naphthyloxy)acetamide
CID 2092999
N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2967150
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(naphthalen-2-yloxy)acetamide
CID 8438611
2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2243984
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-yloxy)acetamide
CID 16813938
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((5-(2-(naphthalen-2-yloxy)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 18553403
2-(4-fluorophenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1032990
2-(4-tert-butylphenoxy)-N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 1032995
2-(4-fluorophenoxy)-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 1265464

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide (CID 898673) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide is CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is CDVIOAVAALDJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-2-22-16-19-18-15(23-16)17-14(20)10-21-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,17,18,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 898673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).