N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

C5H9N3S2 — CID 61386341

IUPACN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCNCCSc1nncs1
InChIInChI=1S/C5H9N3S2/c1-6-2-3-9-5-8-7-4-10-5/h4,6H,2-3H2,1H3
InChIKeyLWYCFPWMFFLUDC-UHFFFAOYSA-N
MW175.28 g/mol
LogP0.85
Rot. Bonds4

About N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 61386341) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID61386341
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC NameN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCNCCSc1nncs1
InChIInChI=1S/C5H9N3S2/c1-6-2-3-9-5-8-7-4-10-5/h4,6H,2-3H2,1H3
InChIKeyLWYCFPWMFFLUDC-UHFFFAOYSA-N
XLogP0.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 50.85
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 N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 61386341) is N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is CNCCSc1nncs1.
What is the InChIKey of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is LWYCFPWMFFLUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-6-2-3-9-5-8-7-4-10-5/h4,6H,2-3H2,1H3.
What are the key properties of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 175.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 61386341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).