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

C8H9F2NOS — CID 84778354

IUPAC1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C8H9F2NOS/c1-4-6(8(3,9)10)13-7(11-4)5(2)12/h1-3H3
InChIKeyMRKYMPZGPHXNFD-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.77
Rot. Bonds2

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

1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone (PubChem CID 84778354) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone
PubChem CID84778354
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C8H9F2NOS/c1-4-6(8(3,9)10)13-7(11-4)5(2)12/h1-3H3
InChIKeyMRKYMPZGPHXNFD-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone (CID 84778354) is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(C)c(C(C)(F)F)s1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone?
The InChIKey is MRKYMPZGPHXNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c1-4-6(8(3,9)10)13-7(11-4)5(2)12/h1-3H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone?
1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone has a molecular weight of 205.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 84778354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).