1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone

C14H13F3N2OS — CID 79371636

IUPAC1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2OS/c1-7-4-5-10(6-11(7)14(15,16)17)18-13-12(9(3)20)8(2)19-21-13/h4-6,18H,1-3H3
InChIKeyIQKIZQTYXRWGJI-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.72
Rot. Bonds3

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

1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79371636) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone
PubChem CID79371636
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2OS/c1-7-4-5-10(6-11(7)14(15,16)17)18-13-12(9(3)20)8(2)19-21-13/h4-6,18H,1-3H3
InChIKeyIQKIZQTYXRWGJI-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone (CID 79371636) is 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is IQKIZQTYXRWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-7-4-5-10(6-11(7)14(15,16)17)18-13-12(9(3)20)8(2)19-21-13/h4-6,18H,1-3H3.
What are the key properties of 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 314.33 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79371636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).