2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C12H7F3N4OS — CID 2814093

IUPAC2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nnsc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H7F3N4OS/c1-6-9(21-19-16-6)11-18-17-10(20-11)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3
InChIKeyBMEBBHVRIWBMLN-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.58
Rot. Bonds2

About 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2814093) has the molecular formula C12H7F3N4OS and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2814093
Molecular FormulaC12H7F3N4OS
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC Name2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nnsc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H7F3N4OS/c1-6-9(21-19-16-6)11-18-17-10(20-11)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3
InChIKeyBMEBBHVRIWBMLN-UHFFFAOYSA-N
XLogP3.58
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 2814093) is 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is Cc1nnsc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is BMEBBHVRIWBMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4OS/c1-6-9(21-19-16-6)11-18-17-10(20-11)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3.
What are the key properties of 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 312.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2814093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).