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

C9H14N4OS2 — CID 673899

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C9H14N4OS2/c10-8-12-13-9(16-8)15-5-7(14)11-6-3-1-2-4-6/h6H,1-5H2,(H2,10,12)(H,11,14)
InChIKeyMIXUSWVOEZCVCD-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.27
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 673899) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID673899
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C9H14N4OS2/c10-8-12-13-9(16-8)15-5-7(14)11-6-3-1-2-4-6/h6H,1-5H2,(H2,10,12)(H,11,14)
InChIKeyMIXUSWVOEZCVCD-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.27
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-cyclopentylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 673899) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide is Nc1nnc(SCC(=O)NC2CCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is MIXUSWVOEZCVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c10-8-12-13-9(16-8)15-5-7(14)11-6-3-1-2-4-6/h6H,1-5H2,(H2,10,12)(H,11,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 258.37 g/mol, XLogP of 1.27, 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-cyclopentylacetamide is sourced from PubChem (CID 673899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).