2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

C17H20N4OS — CID 26209851

IUPAC2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C17H20N4OS/c1-2-3-4-9-16-20-21-17(23-16)19-15(22)10-12-11-18-14-8-6-5-7-13(12)14/h5-8,11,18H,2-4,9-10H2,1H3,(H,19,21,22)
InChIKeyQCHZTZLTTRGKNI-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.93
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 26209851) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID26209851
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C17H20N4OS/c1-2-3-4-9-16-20-21-17(23-16)19-15(22)10-12-11-18-14-8-6-5-7-13(12)14/h5-8,11,18H,2-4,9-10H2,1H3,(H,19,21,22)
InChIKeyQCHZTZLTTRGKNI-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 26209851) is 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QCHZTZLTTRGKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-3-4-9-16-20-21-17(23-16)19-15(22)10-12-11-18-14-8-6-5-7-13(12)14/h5-8,11,18H,2-4,9-10H2,1H3,(H,19,21,22).
What are the key properties of 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 26209851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).