2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

C14H12N4OS2 — CID 2081219

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESNc1nnc(SCC(=O)Nc2cccc3ccccc23)s1
InChIInChI=1S/C14H12N4OS2/c15-13-17-18-14(21-13)20-8-12(19)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,15,17)(H,16,19)
InChIKeyCZHSAIIADRXLIQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.00
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 2081219) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID2081219
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESNc1nnc(SCC(=O)Nc2cccc3ccccc23)s1
InChIInChI=1S/C14H12N4OS2/c15-13-17-18-14(21-13)20-8-12(19)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,15,17)(H,16,19)
InChIKeyCZHSAIIADRXLIQ-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 2081219) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is Nc1nnc(SCC(=O)Nc2cccc3ccccc23)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is CZHSAIIADRXLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c15-13-17-18-14(21-13)20-8-12(19)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,15,17)(H,16,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 316.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2081219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).