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

C19H12F3N3OS — CID 2814977

IUPAC2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H12F3N3OS/c1-11-15(27-18(23-11)13-5-3-2-4-6-13)17-25-24-16(26-17)12-7-9-14(10-8-12)19(20,21)22/h2-10H,1H3
InChIKeyHWEHBCJOJQMESC-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.85
Rot. Bonds3

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

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2814977) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2814977
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H12F3N3OS/c1-11-15(27-18(23-11)13-5-3-2-4-6-13)17-25-24-16(26-17)12-7-9-14(10-8-12)19(20,21)22/h2-10H,1H3
InChIKeyHWEHBCJOJQMESC-UHFFFAOYSA-N
XLogP5.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 2814977) is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is Cc1nc(-c2ccccc2)sc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is HWEHBCJOJQMESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c1-11-15(27-18(23-11)13-5-3-2-4-6-13)17-25-24-16(26-17)12-7-9-14(10-8-12)19(20,21)22/h2-10H,1H3.
What are the key properties of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 387.39 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2814977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).