5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine

C10H17N3S — CID 107647633

IUPAC5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine
SMILESC=CCCC(C)Nc1nnc(CC)s1
InChIInChI=1S/C10H17N3S/c1-4-6-7-8(3)11-10-13-12-9(5-2)14-10/h4,8H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyWLRQESMIVYHZGR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.87
Rot. Bonds6

About 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine

5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 107647633) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID107647633
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine
SMILESC=CCCC(C)Nc1nnc(CC)s1
InChIInChI=1S/C10H17N3S/c1-4-6-7-8(3)11-10-13-12-9(5-2)14-10/h4,8H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyWLRQESMIVYHZGR-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-hex-5-en-2-yl-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

N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449764
2-(Allylamino)-5-ethyl-1,3,4-thiadiazole
CID 554185
N-ethyl-5-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 21544991
N,5-bis(prop-2-enyl)-1,3,4-thiadiazol-2-amine
CID 70587257
5-(2-methylbut-3-en-2-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 89165127
N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982801
N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine
CID 71848178
N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260155
5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine
CID 107647820
5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
CID 107648001
5-ethyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine
CID 107648138
5-ethyl-N-heptan-4-yl-1,3,4-thiadiazol-2-amine
CID 107648148

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine (CID 107647633) is 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine is C=CCCC(C)Nc1nnc(CC)s1.
What is the InChIKey of 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is WLRQESMIVYHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-6-7-8(3)11-10-13-12-9(5-2)14-10/h4,8H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine?
5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).