5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

C7H11N3S — CID 554185

IUPAC5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(CC)s1
InChIInChI=1S/C7H11N3S/c1-3-5-8-7-10-9-6(4-2)11-7/h3H,1,4-5H2,2H3,(H,8,10)
InChIKeyVAOSCSDQXFNERR-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.70
Rot. Bonds4

About 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 554185) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID554185
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(CC)s1
InChIInChI=1S/C7H11N3S/c1-3-5-8-7-10-9-6(4-2)11-7/h3H,1,4-5H2,2H3,(H,8,10)
InChIKeyVAOSCSDQXFNERR-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine 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

5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 83380562
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 18165695
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 107647799
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
5-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924669
5-ethyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924665
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol
CID 167861819

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 554185) is 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(CC)s1.
What is the InChIKey of 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VAOSCSDQXFNERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-3-5-8-7-10-9-6(4-2)11-7/h3H,1,4-5H2,2H3,(H,8,10).
What are the key properties of 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 554185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).