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

C11H18N4OS2 — CID 969571

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C11H18N4OS2/c12-10-14-15-11(18-10)17-7-9(16)13-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyAEKVTEBDYQOVMP-UHFFFAOYSA-N
MW286.43 g/mol
LogP2.05
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide (PubChem CID 969571) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide
PubChem CID969571
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C11H18N4OS2/c12-10-14-15-11(18-10)17-7-9(16)13-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyAEKVTEBDYQOVMP-UHFFFAOYSA-N
XLogP2.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.05
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-cycloheptylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide (CID 969571) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide is Nc1nnc(SCC(=O)NC2CCCCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The InChIKey is AEKVTEBDYQOVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c12-10-14-15-11(18-10)17-7-9(16)13-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,12,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide has a molecular weight of 286.43 g/mol, XLogP of 2.05, 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-cycloheptylacetamide is sourced from PubChem (CID 969571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).