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

C14H10F3N3O2S — CID 155220212

IUPAC(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
SMILESCc1ccc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)nc1
InChIInChI=1S/C14H10F3N3O2S/c1-7-2-3-8(18-6-7)11(21)9-4-5-10(23-9)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3/t11-/m0/s1
InChIKeySRDJGTUBJSYJIC-NSHDSACASA-N
MW341.31 g/mol
LogP3.60
Rot. Bonds3

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

(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol (PubChem CID 155220212) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
PubChem CID155220212
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
SMILESCc1ccc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)nc1
InChIInChI=1S/C14H10F3N3O2S/c1-7-2-3-8(18-6-7)11(21)9-4-5-10(23-9)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3/t11-/m0/s1
InChIKeySRDJGTUBJSYJIC-NSHDSACASA-N
XLogP3.60
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol (CID 155220212) is (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol is Cc1ccc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)nc1.
What is the InChIKey of (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is SRDJGTUBJSYJIC-NSHDSACASA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-7-2-3-8(18-6-7)11(21)9-4-5-10(23-9)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3/t11-/m0/s1.
What are the key properties of (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 341.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 155220212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).