N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C13H17N3OS2 — CID 2207086

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCCCCc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)
InChIKeyXEVBHUZWDDQBDC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.51
Rot. Bonds7

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 2207086) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID2207086
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCCCCc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)
InChIKeyXEVBHUZWDDQBDC-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 2207086) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is CCCCCc1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is XEVBHUZWDDQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 295.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2207086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).