4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine

C10H19N3S2 — CID 62578534

IUPAC4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCSc1nncs1
InChIInChI=1S/C10H19N3S2/c1-9(2)4-3-5-11-6-7-14-10-13-12-8-15-10/h8-9,11H,3-7H2,1-2H3
InChIKeyJVJXTHFSYGPRPV-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.66
Rot. Bonds8

About 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine

4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine (PubChem CID 62578534) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine
PubChem CID62578534
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCSc1nncs1
InChIInChI=1S/C10H19N3S2/c1-9(2)4-3-5-11-6-7-14-10-13-12-8-15-10/h8-9,11H,3-7H2,1-2H3
InChIKeyJVJXTHFSYGPRPV-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine (CID 62578534) is 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine is CC(C)CCCNCCSc1nncs1.
What is the InChIKey of 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
The InChIKey is JVJXTHFSYGPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-9(2)4-3-5-11-6-7-14-10-13-12-8-15-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine has a molecular weight of 245.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine is sourced from PubChem (CID 62578534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).