1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide

C14H24N4OS — CID 99577260

IUPAC1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCc2n[nH]c(=S)n2C)CCC1
InChIInChI=1S/C14H24N4OS/c1-10(2)9-14(6-4-7-14)12(19)15-8-5-11-16-17-13(20)18(11)3/h10H,4-9H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyBTXDPMUYXFRUMK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide

1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 99577260) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID99577260
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCc2n[nH]c(=S)n2C)CCC1
InChIInChI=1S/C14H24N4OS/c1-10(2)9-14(6-4-7-14)12(19)15-8-5-11-16-17-13(20)18(11)3/h10H,4-9H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyBTXDPMUYXFRUMK-UHFFFAOYSA-N
XLogP2.35
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide (CID 99577260) is 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide is CC(C)CC1(C(=O)NCCc2n[nH]c(=S)n2C)CCC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is BTXDPMUYXFRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(2)9-14(6-4-7-14)12(19)15-8-5-11-16-17-13(20)18(11)3/h10H,4-9H2,1-3H3,(H,15,19)(H,17,20).
What are the key properties of 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 99577260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).