3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C6H11N3S — CID 130156859

IUPAC3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C)n1
InChIInChI=1S/C6H11N3S/c1-4-5-7-6(9(2)3)10-8-5/h4H2,1-3H3
InChIKeyLSZBUEQFLSARRL-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.17
Rot. Bonds2

About 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 130156859) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID130156859
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C)n1
InChIInChI=1S/C6H11N3S/c1-4-5-7-6(9(2)3)10-8-5/h4H2,1-3H3
InChIKeyLSZBUEQFLSARRL-UHFFFAOYSA-N
XLogP1.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 130156859) is 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(C)C)n1.
What is the InChIKey of 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LSZBUEQFLSARRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4-5-7-6(9(2)3)10-8-5/h4H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 157.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130156859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).