(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone

C11H12N4OS — CID 105101301

IUPAC(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone
SMILESCC(C)(C)c1nnsc1C(=O)c1cnccn1
InChIInChI=1S/C11H12N4OS/c1-11(2,3)10-9(17-15-14-10)8(16)7-6-12-4-5-13-7/h4-6H,1-3H3
InChIKeyDSUQWLYAPUXPLN-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.86
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone

(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone (PubChem CID 105101301) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone
PubChem CID105101301
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone
SMILESCC(C)(C)c1nnsc1C(=O)c1cnccn1
InChIInChI=1S/C11H12N4OS/c1-11(2,3)10-9(17-15-14-10)8(16)7-6-12-4-5-13-7/h4-6H,1-3H3
InChIKeyDSUQWLYAPUXPLN-UHFFFAOYSA-N
XLogP1.86
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone (CID 105101301) is (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone is CC(C)(C)c1nnsc1C(=O)c1cnccn1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone?
The InChIKey is DSUQWLYAPUXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-11(2,3)10-9(17-15-14-10)8(16)7-6-12-4-5-13-7/h4-6H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone?
(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone has a molecular weight of 248.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 105101301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).