(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol

C13H9F3N4O2S — CID 155220214

IUPAC(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
SMILESCc1cnc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)cn1
InChIInChI=1S/C13H9F3N4O2S/c1-6-4-18-7(5-17-6)10(21)8-2-3-9(23-8)11-19-12(22-20-11)13(14,15)16/h2-5,10,21H,1H3/t10-/m0/s1
InChIKeyRMBXXLKJXXMQAR-JTQLQIEISA-N
MW342.30 g/mol
LogP3.00
Rot. Bonds3

About (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol

(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol (PubChem CID 155220214) has the molecular formula C13H9F3N4O2S and a molecular weight of 342.30 g/mol. Its IUPAC name is (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
PubChem CID155220214
Molecular FormulaC13H9F3N4O2S
Molecular Weight342.30 g/mol
Exact Mass342.04
IUPAC Name(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
SMILESCc1cnc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)cn1
InChIInChI=1S/C13H9F3N4O2S/c1-6-4-18-7(5-17-6)10(21)8-2-3-9(23-8)11-19-12(22-20-11)13(14,15)16/h2-5,10,21H,1H3/t10-/m0/s1
InChIKeyRMBXXLKJXXMQAR-JTQLQIEISA-N
XLogP3.00
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol (CID 155220214) is (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol is Cc1cnc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)cn1.
What is the InChIKey of (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is RMBXXLKJXXMQAR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H9F3N4O2S/c1-6-4-18-7(5-17-6)10(21)8-2-3-9(23-8)11-19-12(22-20-11)13(14,15)16/h2-5,10,21H,1H3/t10-/m0/s1.
What are the key properties of (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 342.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 155220214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).