5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide

C12H9F3N2O2S — CID 21468604

IUPAC5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide
SMILESCc1sc(Oc2cccc(C(F)(F)F)c2)nc1C(N)=O
InChIInChI=1S/C12H9F3N2O2S/c1-6-9(10(16)18)17-11(20-6)19-8-4-2-3-7(5-8)12(13,14)15/h2-5H,1H3,(H2,16,18)
InChIKeyDWHWOFZZVXUATO-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.36
Rot. Bonds3

About 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide

5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide (PubChem CID 21468604) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide
PubChem CID21468604
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide
SMILESCc1sc(Oc2cccc(C(F)(F)F)c2)nc1C(N)=O
InChIInChI=1S/C12H9F3N2O2S/c1-6-9(10(16)18)17-11(20-6)19-8-4-2-3-7(5-8)12(13,14)15/h2-5H,1H3,(H2,16,18)
InChIKeyDWHWOFZZVXUATO-UHFFFAOYSA-N
XLogP3.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide (CID 21468604) is 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide is Cc1sc(Oc2cccc(C(F)(F)F)c2)nc1C(N)=O.
What is the InChIKey of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide?
The InChIKey is DWHWOFZZVXUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-6-9(10(16)18)17-11(20-6)19-8-4-2-3-7(5-8)12(13,14)15/h2-5H,1H3,(H2,16,18).
What are the key properties of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide?
5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 21468604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).