3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C10H19N3S — CID 65267698

IUPAC3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(C)c1nsc(NCC(C)C)n1
InChIInChI=1S/C10H19N3S/c1-5-8(4)9-12-10(14-13-9)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyALJICQYJUQFJSM-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.12
Rot. Bonds5

About 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267698) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267698
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(C)c1nsc(NCC(C)C)n1
InChIInChI=1S/C10H19N3S/c1-5-8(4)9-12-10(14-13-9)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyALJICQYJUQFJSM-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267698) is 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CCC(C)c1nsc(NCC(C)C)n1.
What is the InChIKey of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ALJICQYJUQFJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-8(4)9-12-10(14-13-9)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).