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

C9H10F3NOS — CID 79964582

IUPAC1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CCC(F)(F)F)nc1C
InChIInChI=1S/C9H10F3NOS/c1-5-8(6(2)14)15-7(13-5)3-4-9(10,11)12/h3-4H2,1-2H3
InChIKeyVDPGMWHPYWIHBF-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.15
Rot. Bonds3

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

1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 79964582) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
PubChem CID79964582
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CCC(F)(F)F)nc1C
InChIInChI=1S/C9H10F3NOS/c1-5-8(6(2)14)15-7(13-5)3-4-9(10,11)12/h3-4H2,1-2H3
InChIKeyVDPGMWHPYWIHBF-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone (CID 79964582) is 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CCC(F)(F)F)nc1C.
What is the InChIKey of 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VDPGMWHPYWIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-5-8(6(2)14)15-7(13-5)3-4-9(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 237.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79964582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).