3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

C10H15N5S — CID 65276376

IUPAC3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCc2ccn[nH]2)n1
InChIInChI=1S/C10H15N5S/c1-10(2,3)8-13-9(16-15-8)11-6-7-4-5-12-14-7/h4-5H,6H2,1-3H3,(H,12,14)(H,11,13,15)
InChIKeyXHELBDRATPCJRO-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.17
Rot. Bonds3

About 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276376) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276376
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCc2ccn[nH]2)n1
InChIInChI=1S/C10H15N5S/c1-10(2,3)8-13-9(16-15-8)11-6-7-4-5-12-14-7/h4-5H,6H2,1-3H3,(H,12,14)(H,11,13,15)
InChIKeyXHELBDRATPCJRO-UHFFFAOYSA-N
XLogP2.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65276376) is 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCc2ccn[nH]2)n1.
What is the InChIKey of 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XHELBDRATPCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-10(2,3)8-13-9(16-15-8)11-6-7-4-5-12-14-7/h4-5H,6H2,1-3H3,(H,12,14)(H,11,13,15).
What are the key properties of 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).