1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine

C10H19N3S — CID 65280352

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
SMILESCCc1nsc(CC(N)C(C)(C)C)n1
InChIInChI=1S/C10H19N3S/c1-5-8-12-9(14-13-8)6-7(11)10(2,3)4/h7H,5-6,11H2,1-4H3
InChIKeyAVJNQWKJJKQJHO-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.02
Rot. Bonds3

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine (PubChem CID 65280352) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
PubChem CID65280352
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
SMILESCCc1nsc(CC(N)C(C)(C)C)n1
InChIInChI=1S/C10H19N3S/c1-5-8-12-9(14-13-8)6-7(11)10(2,3)4/h7H,5-6,11H2,1-4H3
InChIKeyAVJNQWKJJKQJHO-UHFFFAOYSA-N
XLogP2.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine (CID 65280352) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine is CCc1nsc(CC(N)C(C)(C)C)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is AVJNQWKJJKQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-8-12-9(14-13-8)6-7(11)10(2,3)4/h7H,5-6,11H2,1-4H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 65280352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).