N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine

C11H19N3S — CID 104625645

IUPACN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1nnc(C)s1
InChIInChI=1S/C11H19N3S/c1-5-6-7-8(2)12-9(3)11-14-13-10(4)15-11/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyUPSDZNXPBANYLA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.85
Rot. Bonds6

About N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine (PubChem CID 104625645) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine
PubChem CID104625645
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1nnc(C)s1
InChIInChI=1S/C11H19N3S/c1-5-6-7-8(2)12-9(3)11-14-13-10(4)15-11/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyUPSDZNXPBANYLA-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine (CID 104625645) is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NC(C)c1nnc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine?
The InChIKey is UPSDZNXPBANYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-6-7-8(2)12-9(3)11-14-13-10(4)15-11/h5,8-9,12H,1,6-7H2,2-4H3.
What are the key properties of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine?
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104625645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).