3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide

C11H20N4S2 — CID 65271838

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
SMILESCCc1nsc(N(CCC(N)=S)CC(C)C)n1
InChIInChI=1S/C11H20N4S2/c1-4-10-13-11(17-14-10)15(7-8(2)3)6-5-9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
InChIKeyWLZPNNMLCPPRRT-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.24
Rot. Bonds7

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide (PubChem CID 65271838) has the molecular formula C11H20N4S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
PubChem CID65271838
Molecular FormulaC11H20N4S2
Molecular Weight272.44 g/mol
Exact Mass272.11
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
SMILESCCc1nsc(N(CCC(N)=S)CC(C)C)n1
InChIInChI=1S/C11H20N4S2/c1-4-10-13-11(17-14-10)15(7-8(2)3)6-5-9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
InChIKeyWLZPNNMLCPPRRT-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide 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 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide (CID 65271838) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide is CCc1nsc(N(CCC(N)=S)CC(C)C)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide?
The InChIKey is WLZPNNMLCPPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2/c1-4-10-13-11(17-14-10)15(7-8(2)3)6-5-9(12)16/h8H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide has a molecular weight of 272.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide is sourced from PubChem (CID 65271838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).