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

C10H17N3S — CID 104584168

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1nnc(C)s1
InChIInChI=1S/C10H17N3S/c1-4-5-6-8(2)11-7-10-13-12-9(3)14-10/h4,8,11H,1,5-7H2,2-3H3
InChIKeyAMYJIBZBQHPLQK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.29
Rot. Bonds6

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

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine (PubChem CID 104584168) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine
PubChem CID104584168
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1nnc(C)s1
InChIInChI=1S/C10H17N3S/c1-4-5-6-8(2)11-7-10-13-12-9(3)14-10/h4,8,11H,1,5-7H2,2-3H3
InChIKeyAMYJIBZBQHPLQK-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine (CID 104584168) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCc1nnc(C)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine?
The InChIKey is AMYJIBZBQHPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-5-6-8(2)11-7-10-13-12-9(3)14-10/h4,8,11H,1,5-7H2,2-3H3.
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104584168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).