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

C6H11N3S2 — CID 19075550

IUPACN,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCN(C)CCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-9(2)3-4-10-6-8-7-5-11-6/h5H,3-4H2,1-2H3
InChIKeyCMYXWBNZENZGAK-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.19
Rot. Bonds4

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

N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 19075550) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID19075550
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC NameN,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCN(C)CCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-9(2)3-4-10-6-8-7-5-11-6/h5H,3-4H2,1-2H3
InChIKeyCMYXWBNZENZGAK-UHFFFAOYSA-N
XLogP1.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 19075550) is N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is CN(C)CCSc1nncs1.
What is the InChIKey of N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is CMYXWBNZENZGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-9(2)3-4-10-6-8-7-5-11-6/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 189.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 19075550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).