2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one

C7H7F2NO2S — CID 131090488

IUPAC2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
SMILESCOc1ncc(C(=O)C(C)(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c1-7(8,9)5(11)4-3-10-6(12-2)13-4/h3H,1-2H3
InChIKeySDYUWXUNCNYOIR-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.99
Rot. Bonds3

About 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one

2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one (PubChem CID 131090488) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
PubChem CID131090488
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
SMILESCOc1ncc(C(=O)C(C)(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c1-7(8,9)5(11)4-3-10-6(12-2)13-4/h3H,1-2H3
InChIKeySDYUWXUNCNYOIR-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-Thiazol-5-yl)ethan-1-one
CID 14042329
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
1-(2-Bromo-1,3-thiazol-5-yl)ethan-1-one
CID 57562813
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
Ethanone, 1-(2-bromo-5-thiazolyl)-2,2,2-trifluoro-
CID 67324338
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one (CID 131090488) is 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one is COc1ncc(C(=O)C(C)(F)F)s1.
What is the InChIKey of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is SDYUWXUNCNYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-7(8,9)5(11)4-3-10-6(12-2)13-4/h3H,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 207.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 131090488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).