N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine

C12H21N3S — CID 104628537

IUPACN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine
SMILESC=CCCC(CC)NC(C)c1nnc(C)s1
InChIInChI=1S/C12H21N3S/c1-5-7-8-11(6-2)13-9(3)12-15-14-10(4)16-12/h5,9,11,13H,1,6-8H2,2-4H3
InChIKeyGBDVZPOZXKWUNA-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.24
Rot. Bonds7

About N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine (PubChem CID 104628537) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine
PubChem CID104628537
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine
SMILESC=CCCC(CC)NC(C)c1nnc(C)s1
InChIInChI=1S/C12H21N3S/c1-5-7-8-11(6-2)13-9(3)12-15-14-10(4)16-12/h5,9,11,13H,1,6-8H2,2-4H3
InChIKeyGBDVZPOZXKWUNA-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-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-[1-(5-pentyl-1,3,4-thiadiazol-2-yl)ethyl]propan-1-amine
CID 65705561
N-ethyl-1-(5-pentyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65716390
1-(5-pentyl-1,3,4-thiadiazol-2-yl)-N-propylpropan-1-amine
CID 65717992
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]oct-7-en-4-amine
CID 104006559
3-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine
CID 104006560
6-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hept-5-en-2-amine
CID 104006572
1-cyclopropyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pent-4-en-1-amine
CID 104006576
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hept-6-en-3-amine
CID 104006584
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine
CID 104584168
N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624883
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104625645
3-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104628495

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine?
The IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine (CID 104628537) is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine?
The canonical SMILES for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine is C=CCCC(CC)NC(C)c1nnc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine?
The InChIKey is GBDVZPOZXKWUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-7-8-11(6-2)13-9(3)12-15-14-10(4)16-12/h5,9,11,13H,1,6-8H2,2-4H3.
What are the key properties of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine?
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine has a molecular weight of 239.39 g/mol, XLogP of 3.24, 7 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]hept-6-en-3-amine is sourced from PubChem (CID 104628537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).