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

C5H11N3S — CID 143985873

IUPACethane;3-methyl-1,2,4-thiadiazol-5-amine
SMILESCC.Cc1nsc(N)n1
InChIInChI=1S/C3H5N3S.C2H6/c1-2-5-3(4)7-6-2;1-2/h1H3,(H2,4,5,6);1-2H3
InChIKeyGNKMDOKHETTYRT-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.45
Rot. Bonds

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

ethane;3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 143985873) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is ethane;3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Nameethane;3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID143985873
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Nameethane;3-methyl-1,2,4-thiadiazol-5-amine
SMILESCC.Cc1nsc(N)n1
InChIInChI=1S/C3H5N3S.C2H6/c1-2-5-3(4)7-6-2;1-2/h1H3,(H2,4,5,6);1-2H3
InChIKeyGNKMDOKHETTYRT-UHFFFAOYSA-N
XLogP1.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of ethane;3-methyl-1,2,4-thiadiazol-5-amine (CID 143985873) is ethane;3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for ethane;3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for ethane;3-methyl-1,2,4-thiadiazol-5-amine is CC.Cc1nsc(N)n1.
What is the InChIKey of ethane;3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GNKMDOKHETTYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S.C2H6/c1-2-5-3(4)7-6-2;1-2/h1H3,(H2,4,5,6);1-2H3.
What are the key properties of ethane;3-methyl-1,2,4-thiadiazol-5-amine?
ethane;3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 145.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 143985873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).