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

C18H14F2N2O2S — CID 90145514

IUPAC2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C)c1
InChIInChI=1S/C18H14F2N2O2S/c1-10-5-3-6-11(9-10)15-17(24-2)22-18(25-15)21-16(23)14-12(19)7-4-8-13(14)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyOMDMHARGXDSKOC-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.66
Rot. Bonds4

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

2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 90145514) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID90145514
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C)c1
InChIInChI=1S/C18H14F2N2O2S/c1-10-5-3-6-11(9-10)15-17(24-2)22-18(25-15)21-16(23)14-12(19)7-4-8-13(14)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyOMDMHARGXDSKOC-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(chloromethyl)-5-(3-methylphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 90145517
2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 90145530
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;methyl 2-[(2,6-difluorobenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159602800
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 24765679
N-[5-(3-cyanophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589098
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 157389076
2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 143518114
methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 147548466
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 59004529
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 90145514) is 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide is COc1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C)c1.
What is the InChIKey of 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OMDMHARGXDSKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-10-5-3-6-11(9-10)15-17(24-2)22-18(25-15)21-16(23)14-12(19)7-4-8-13(14)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 90145514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).