N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C12H21N3S — CID 106260155

IUPACN-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCCC(C)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C12H21N3S/c1-5-6-7-10(4)13-12-15-14-11(16-12)8-9(2)3/h5,9-10H,1,6-8H2,2-4H3,(H,13,15)
InChIKeyQOVFDBUYTSIVKH-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.50
Rot. Bonds7

About N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260155) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260155
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCCC(C)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C12H21N3S/c1-5-6-7-10(4)13-12-15-14-11(16-12)8-9(2)3/h5,9-10H,1,6-8H2,2-4H3,(H,13,15)
InChIKeyQOVFDBUYTSIVKH-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260155) is N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is C=CCCC(C)Nc1nnc(CC(C)C)s1.
What is the InChIKey of N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QOVFDBUYTSIVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-6-7-10(4)13-12-15-14-11(16-12)8-9(2)3/h5,9-10H,1,6-8H2,2-4H3,(H,13,15).
What are the key properties of N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).