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

C18H11F2N3O2S — CID 59402771

IUPAC2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILES[C-]#[N+]c1ccc(-c2csc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1
InChIInChI=1S/C18H11F2N3O2S/c1-22-11-4-2-10(3-5-11)13-9-26-15(23-13)8-25-14-7-6-12(19)16(17(14)20)18(21)24/h2-7,9H,8H2,(H2,21,24)
InChIKeyYWZUSMJMQWVYFI-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.32
Rot. Bonds5

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

2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide (PubChem CID 59402771) has the molecular formula C18H11F2N3O2S and a molecular weight of 371.37 g/mol. Its IUPAC name is 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide
PubChem CID59402771
Molecular FormulaC18H11F2N3O2S
Molecular Weight371.37 g/mol
Exact Mass371.05
IUPAC Name2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILES[C-]#[N+]c1ccc(-c2csc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1
InChIInChI=1S/C18H11F2N3O2S/c1-22-11-4-2-10(3-5-11)13-9-26-15(23-13)8-25-14-7-6-12(19)16(17(14)20)18(21)24/h2-7,9H,8H2,(H2,21,24)
InChIKeyYWZUSMJMQWVYFI-UHFFFAOYSA-N
XLogP4.32
TPSA69.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 130301521
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 66620086
3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402666
2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 59402767
3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
CID 59549533
3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
CID 66575000
(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
CID 45141291
2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 87431335
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide (CID 59402771) is 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide is [C-]#[N+]c1ccc(-c2csc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1.
What is the InChIKey of 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The InChIKey is YWZUSMJMQWVYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2S/c1-22-11-4-2-10(3-5-11)13-9-26-15(23-13)8-25-14-7-6-12(19)16(17(14)20)18(21)24/h2-7,9H,8H2,(H2,21,24).
What are the key properties of 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide has a molecular weight of 371.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 59402771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).