naphthalen-2-yl 4-methylthiadiazole-5-carboxylate

C14H10N2O2S — CID 141234625

IUPACnaphthalen-2-yl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H10N2O2S/c1-9-13(19-16-15-9)14(17)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKeyXVGULGZVBDJNMR-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.22
Rot. Bonds2

About naphthalen-2-yl 4-methylthiadiazole-5-carboxylate

naphthalen-2-yl 4-methylthiadiazole-5-carboxylate (PubChem CID 141234625) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is naphthalen-2-yl 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl 4-methylthiadiazole-5-carboxylate
PubChem CID141234625
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Namenaphthalen-2-yl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H10N2O2S/c1-9-13(19-16-15-9)14(17)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKeyXVGULGZVBDJNMR-UHFFFAOYSA-N
XLogP3.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 4-methylthiadiazole-5-carboxylate?
The IUPAC name of naphthalen-2-yl 4-methylthiadiazole-5-carboxylate (CID 141234625) is naphthalen-2-yl 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for naphthalen-2-yl 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for naphthalen-2-yl 4-methylthiadiazole-5-carboxylate is Cc1nnsc1C(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 4-methylthiadiazole-5-carboxylate?
The InChIKey is XVGULGZVBDJNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-9-13(19-16-15-9)14(17)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3.
What are the key properties of naphthalen-2-yl 4-methylthiadiazole-5-carboxylate?
naphthalen-2-yl 4-methylthiadiazole-5-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 141234625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).