2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C13H12F2N2OS — CID 60529081

IUPAC2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C13H12F2N2OS/c1-17(2)13(18)6-12-16-11(7-19-12)8-3-4-9(14)10(15)5-8/h3-5,7H,6H2,1-2H3
InChIKeyQFEPIBMYYXGQNI-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.72
Rot. Bonds3

About 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 60529081) has the molecular formula C13H12F2N2OS and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID60529081
Molecular FormulaC13H12F2N2OS
Molecular Weight282.32 g/mol
Exact Mass282.06
IUPAC Name2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C13H12F2N2OS/c1-17(2)13(18)6-12-16-11(7-19-12)8-3-4-9(14)10(15)5-8/h3-5,7H,6H2,1-2H3
InChIKeyQFEPIBMYYXGQNI-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 47302358
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 83969157
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone
CID 147925745
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 60529081) is 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is QFEPIBMYYXGQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-17(2)13(18)6-12-16-11(7-19-12)8-3-4-9(14)10(15)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 282.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 60529081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).