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

C9H10F4N2OS — CID 106295438

IUPAC1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2OS/c1-4-6(5(2)16)7(17-15-4)14-3-9(12,13)8(10)11/h8,14H,3H2,1-2H3
InChIKeyRKLHDYHVDRZFQE-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.97
Rot. Bonds5

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

1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 106295438) has the molecular formula C9H10F4N2OS and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID106295438
Molecular FormulaC9H10F4N2OS
Molecular Weight270.25 g/mol
Exact Mass270.04
IUPAC Name1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2OS/c1-4-6(5(2)16)7(17-15-4)14-3-9(12,13)8(10)11/h8,14H,3H2,1-2H3
InChIKeyRKLHDYHVDRZFQE-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone (CID 106295438) is 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCC(F)(F)C(F)F.
What is the InChIKey of 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is RKLHDYHVDRZFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2OS/c1-4-6(5(2)16)7(17-15-4)14-3-9(12,13)8(10)11/h8,14H,3H2,1-2H3.
What are the key properties of 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 270.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 106295438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).