3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide

C9H16N4S2 — CID 65272274

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide
SMILESCCc1nsc(N(C)C(C)CC(N)=S)n1
InChIInChI=1S/C9H16N4S2/c1-4-8-11-9(15-12-8)13(3)6(2)5-7(10)14/h6H,4-5H2,1-3H3,(H2,10,14)
InChIKeyHYIBEUSCCFYUHZ-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.60
Rot. Bonds5

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide (PubChem CID 65272274) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide
PubChem CID65272274
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide
SMILESCCc1nsc(N(C)C(C)CC(N)=S)n1
InChIInChI=1S/C9H16N4S2/c1-4-8-11-9(15-12-8)13(3)6(2)5-7(10)14/h6H,4-5H2,1-3H3,(H2,10,14)
InChIKeyHYIBEUSCCFYUHZ-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.60
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)-methylamino]butanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
3-N-methyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304488
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304525
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304526
3-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanethioamide
CID 107304532
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanimidamide
CID 107304625
3-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanimidamide
CID 107304631
1-N,1-N-dimethyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304857
1-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107306294

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide (CID 65272274) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide is CCc1nsc(N(C)C(C)CC(N)=S)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide?
The InChIKey is HYIBEUSCCFYUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-4-8-11-9(15-12-8)13(3)6(2)5-7(10)14/h6H,4-5H2,1-3H3,(H2,10,14).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]butanethioamide has a molecular weight of 244.39 g/mol, XLogP of 1.60, 5 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)-methylamino]butanethioamide is sourced from PubChem (CID 65272274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).