3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine

C12H19N5S — CID 65274085

IUPAC3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)n1cc(Nc2nc(C(C)(C)C)ns2)cn1
InChIInChI=1S/C12H19N5S/c1-8(2)17-7-9(6-13-17)14-11-15-10(16-18-11)12(3,4)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyMYADZJURSGJNIZ-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.36
Rot. Bonds3

About 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274085) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65274085
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)n1cc(Nc2nc(C(C)(C)C)ns2)cn1
InChIInChI=1S/C12H19N5S/c1-8(2)17-7-9(6-13-17)14-11-15-10(16-18-11)12(3,4)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyMYADZJURSGJNIZ-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 65274085) is 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is CC(C)n1cc(Nc2nc(C(C)(C)C)ns2)cn1.
What is the InChIKey of 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MYADZJURSGJNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8(2)17-7-9(6-13-17)14-11-15-10(16-18-11)12(3,4)5/h6-8H,1-5H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).