3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C25H20F2N2O3S — CID 59735905

IUPAC3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)n1
InChIInChI=1S/C25H20F2N2O3S/c1-16-15-33-25(28-16)29-24(30)19-10-20(31-13-17-6-2-4-8-22(17)26)12-21(11-19)32-14-18-7-3-5-9-23(18)27/h2-12,15H,13-14H2,1H3,(H,28,29,30)
InChIKeyVIRNDXZDXKNQTC-UHFFFAOYSA-N
MW466.51 g/mol
LogP6.14
Rot. Bonds8

About 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 59735905) has the molecular formula C25H20F2N2O3S and a molecular weight of 466.51 g/mol. Its IUPAC name is 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID59735905
Molecular FormulaC25H20F2N2O3S
Molecular Weight466.51 g/mol
Exact Mass466.12
IUPAC Name3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)n1
InChIInChI=1S/C25H20F2N2O3S/c1-16-15-33-25(28-16)29-24(30)19-10-20(31-13-17-6-2-4-8-22(17)26)12-21(11-19)32-14-18-7-3-5-9-23(18)27/h2-12,15H,13-14H2,1H3,(H,28,29,30)
InChIKeyVIRNDXZDXKNQTC-UHFFFAOYSA-N
XLogP6.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyridin-2-ylbenzamide
CID 59735848
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 71950877
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 162691696
3-[(1-methyltetrazol-5-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 91946133
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 145489207
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 59735905) is 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)n1.
What is the InChIKey of 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VIRNDXZDXKNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3S/c1-16-15-33-25(28-16)29-24(30)19-10-20(31-13-17-6-2-4-8-22(17)26)12-21(11-19)32-14-18-7-3-5-9-23(18)27/h2-12,15H,13-14H2,1H3,(H,28,29,30).
What are the key properties of 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 466.51 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).