N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

C12H20N4OS — CID 18106162

IUPACN-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NC1CCCC1
InChIInChI=1S/C12H20N4OS/c1-2-5-10-14-15-12(18)16(10)8-11(17)13-9-6-3-4-7-9/h9H,2-8H2,1H3,(H,13,17)(H,15,18)
InChIKeyMUAIXMZKKWEUHD-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.95
Rot. Bonds5

About N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 18106162) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID18106162
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NC1CCCC1
InChIInChI=1S/C12H20N4OS/c1-2-5-10-14-15-12(18)16(10)8-11(17)13-9-6-3-4-7-9/h9H,2-8H2,1H3,(H,13,17)(H,15,18)
InChIKeyMUAIXMZKKWEUHD-UHFFFAOYSA-N
XLogP1.95
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (CID 18106162) is N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is CCCc1n[nH]c(=S)n1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is MUAIXMZKKWEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-5-10-14-15-12(18)16(10)8-11(17)13-9-6-3-4-7-9/h9H,2-8H2,1H3,(H,13,17)(H,15,18).
What are the key properties of N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 18106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).