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

C10H15N5S — CID 86801665

IUPAC3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1[nH]ncc1Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H15N5S/c1-6-7(5-11-14-6)12-9-13-8(15-16-9)10(2,3)4/h5H,1-4H3,(H,11,14)(H,12,13,15)
InChIKeyXIKHBFAXOIMYFM-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.61
Rot. Bonds2

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

3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 86801665) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID86801665
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1[nH]ncc1Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H15N5S/c1-6-7(5-11-14-6)12-9-13-8(15-16-9)10(2,3)4/h5H,1-4H3,(H,11,14)(H,12,13,15)
InChIKeyXIKHBFAXOIMYFM-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.61
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-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 86801665) is 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine is Cc1[nH]ncc1Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XIKHBFAXOIMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-6-7(5-11-14-6)12-9-13-8(15-16-9)10(2,3)4/h5H,1-4H3,(H,11,14)(H,12,13,15).
What are the key properties of 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(5-methyl-1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86801665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).