[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C17H15N3O3S — CID 8534866

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O3S/c1-2-13-16(24-20-19-13)17(22)23-10-15(21)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyCUWLYHJCAALMOT-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.05
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8534866) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8534866
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O3S/c1-2-13-16(24-20-19-13)17(22)23-10-15(21)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyCUWLYHJCAALMOT-UHFFFAOYSA-N
XLogP3.05
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8534866) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is CUWLYHJCAALMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-13-16(24-20-19-13)17(22)23-10-15(21)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8534866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).