5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine

C9H17N3S — CID 64543253

IUPAC5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine
SMILESCC(Cc1nc(N)ns1)C(C)(C)C
InChIInChI=1S/C9H17N3S/c1-6(9(2,3)4)5-7-11-8(10)12-13-7/h6H,5H2,1-4H3,(H2,10,12)
InChIKeyLIVIEYDTMKTUQL-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.35
Rot. Bonds2

About 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine

5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64543253) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine
PubChem CID64543253
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine
SMILESCC(Cc1nc(N)ns1)C(C)(C)C
InChIInChI=1S/C9H17N3S/c1-6(9(2,3)4)5-7-11-8(10)12-13-7/h6H,5H2,1-4H3,(H2,10,12)
InChIKeyLIVIEYDTMKTUQL-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine (CID 64543253) is 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine is CC(Cc1nc(N)ns1)C(C)(C)C.
What is the InChIKey of 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is LIVIEYDTMKTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(9(2,3)4)5-7-11-8(10)12-13-7/h6H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine?
5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 199.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64543253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).