2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C13H12F2N2O3S — CID 51158639

IUPAC2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C)cs2)c1OC(F)F
InChIInChI=1S/C13H12F2N2O3S/c1-7-6-21-13(16-7)17-11(18)8-4-3-5-9(19-2)10(8)20-12(14)15/h3-6,12H,1-2H3,(H,16,17,18)
InChIKeyWKVJBAHICGVVJJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.31
Rot. Bonds5

About 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 51158639) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID51158639
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C)cs2)c1OC(F)F
InChIInChI=1S/C13H12F2N2O3S/c1-7-6-21-13(16-7)17-11(18)8-4-3-5-9(19-2)10(8)20-12(14)15/h3-6,12H,1-2H3,(H,16,17,18)
InChIKeyWKVJBAHICGVVJJ-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55341280
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 51158639) is 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(C)cs2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WKVJBAHICGVVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-7-6-21-13(16-7)17-11(18)8-4-3-5-9(19-2)10(8)20-12(14)15/h3-6,12H,1-2H3,(H,16,17,18).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 314.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 51158639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).