N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

C6H11N3S3 — CID 115383289

IUPACN-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCNCCSc1nnc(SC)s1
InChIInChI=1S/C6H11N3S3/c1-7-3-4-11-6-9-8-5(10-2)12-6/h7H,3-4H2,1-2H3
InChIKeyLLLBZBADRLHGHZ-UHFFFAOYSA-N
MW221.38 g/mol
LogP1.57
Rot. Bonds5

About N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 115383289) has the molecular formula C6H11N3S3 and a molecular weight of 221.38 g/mol. Its IUPAC name is N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID115383289
Molecular FormulaC6H11N3S3
Molecular Weight221.38 g/mol
Exact Mass221.01
IUPAC NameN-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCNCCSc1nnc(SC)s1
InChIInChI=1S/C6H11N3S3/c1-7-3-4-11-6-9-8-5(10-2)12-6/h7H,3-4H2,1-2H3
InChIKeyLLLBZBADRLHGHZ-UHFFFAOYSA-N
XLogP1.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 115383289) is N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is CNCCSc1nnc(SC)s1.
What is the InChIKey of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is LLLBZBADRLHGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S3/c1-7-3-4-11-6-9-8-5(10-2)12-6/h7H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 221.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 115383289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).