2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide

C16H18F2N2O2S — CID 118775539

IUPAC2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1cc(F)c(C(=O)NCc2sc(C(C)C)nc2C)c(F)c1
InChIInChI=1S/C16H18F2N2O2S/c1-8(2)16-20-9(3)13(23-16)7-19-15(21)14-11(17)5-10(22-4)6-12(14)18/h5-6,8H,7H2,1-4H3,(H,19,21)
InChIKeyYINDGYXLTGAZEE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.79
Rot. Bonds5

About 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide

2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 118775539) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID118775539
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1cc(F)c(C(=O)NCc2sc(C(C)C)nc2C)c(F)c1
InChIInChI=1S/C16H18F2N2O2S/c1-8(2)16-20-9(3)13(23-16)7-19-15(21)14-11(17)5-10(22-4)6-12(14)18/h5-6,8H,7H2,1-4H3,(H,19,21)
InChIKeyYINDGYXLTGAZEE-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide with MolForge

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Related Compounds

3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 91789702
3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 118779746
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 118778321
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
CID 121122720
N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72837310
N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide
CID 91795003
methyl 2-fluoro-5-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 75414818
1-(2,6-difluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 60965545
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
CID 121122762
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide (CID 118775539) is 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide is COc1cc(F)c(C(=O)NCc2sc(C(C)C)nc2C)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is YINDGYXLTGAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-8(2)16-20-9(3)13(23-16)7-19-15(21)14-11(17)5-10(22-4)6-12(14)18/h5-6,8H,7H2,1-4H3,(H,19,21).
What are the key properties of 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 118775539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).