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

C6H11N3S2 — CID 61386358

IUPACN-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCNCCCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-7-3-2-4-10-6-9-8-5-11-6/h5,7H,2-4H2,1H3
InChIKeyOKJADKPSMNVBOH-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.24
Rot. Bonds5

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

N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 61386358) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID61386358
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC NameN-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCNCCCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-7-3-2-4-10-6-9-8-5-11-6/h5,7H,2-4H2,1H3
InChIKeyOKJADKPSMNVBOH-UHFFFAOYSA-N
XLogP1.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.24
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-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 61386358) is N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is CNCCCSc1nncs1.
What is the InChIKey of N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is OKJADKPSMNVBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-7-3-2-4-10-6-9-8-5-11-6/h5,7H,2-4H2,1H3.
What are the key properties of N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 189.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 61386358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).