ethane;5-ethyl-1,3,4-thiadiazol-2-amine

C6H13N3S — CID 143067847

IUPACethane;5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCC.CCc1nnc(N)s1
InChIInChI=1S/C4H7N3S.C2H6/c1-2-3-6-7-4(5)8-3;1-2/h2H2,1H3,(H2,5,7);1-2H3
InChIKeyITUGYCXBLUPQQJ-UHFFFAOYSA-N
MW159.26 g/mol
LogP1.71
Rot. Bonds1

About ethane;5-ethyl-1,3,4-thiadiazol-2-amine

ethane;5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 143067847) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is ethane;5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Nameethane;5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID143067847
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Nameethane;5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCC.CCc1nnc(N)s1
InChIInChI=1S/C4H7N3S.C2H6/c1-2-3-6-7-4(5)8-3;1-2/h2H2,1H3,(H2,5,7);1-2H3
InChIKeyITUGYCXBLUPQQJ-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of ethane;5-ethyl-1,3,4-thiadiazol-2-amine (CID 143067847) is ethane;5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for ethane;5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for ethane;5-ethyl-1,3,4-thiadiazol-2-amine is CC.CCc1nnc(N)s1.
What is the InChIKey of ethane;5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ITUGYCXBLUPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.C2H6/c1-2-3-6-7-4(5)8-3;1-2/h2H2,1H3,(H2,5,7);1-2H3.
What are the key properties of ethane;5-ethyl-1,3,4-thiadiazol-2-amine?
ethane;5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 159.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 143067847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).