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

C13H22N4OS — CID 18108635

IUPACN-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4OS/c1-2-6-11-15-16-13(19)17(11)9-12(18)14-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H,14,18)(H,16,19)
InChIKeyUFYCRFOJDQLPCI-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.34
Rot. Bonds5

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

N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 18108635) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID18108635
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4OS/c1-2-6-11-15-16-13(19)17(11)9-12(18)14-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H,14,18)(H,16,19)
InChIKeyUFYCRFOJDQLPCI-UHFFFAOYSA-N
XLogP2.34
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.34
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-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (CID 18108635) is N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is CCCc1n[nH]c(=S)n1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is UFYCRFOJDQLPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-6-11-15-16-13(19)17(11)9-12(18)14-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H,14,18)(H,16,19).
What are the key properties of N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 18108635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).