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

C14H10F3N3OS — CID 2745855

IUPAC3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
SMILESCc1noc(N)c1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H10F3N3OS/c1-7-11(12(18)21-20-7)13-19-10(6-22-13)8-3-2-4-9(5-8)14(15,16)17/h2-6H,18H2,1H3
InChIKeyZYSCKQRWYOZBLN-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.37
Rot. Bonds2

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

3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine (PubChem CID 2745855) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
PubChem CID2745855
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
SMILESCc1noc(N)c1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H10F3N3OS/c1-7-11(12(18)21-20-7)13-19-10(6-22-13)8-3-2-4-9(5-8)14(15,16)17/h2-6H,18H2,1H3
InChIKeyZYSCKQRWYOZBLN-UHFFFAOYSA-N
XLogP4.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine (CID 2745855) is 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine is Cc1noc(N)c1-c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine?
The InChIKey is ZYSCKQRWYOZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-7-11(12(18)21-20-7)13-19-10(6-22-13)8-3-2-4-9(5-8)14(15,16)17/h2-6H,18H2,1H3.
What are the key properties of 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine?
3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine has a molecular weight of 325.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 2745855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).