N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C26H30FN3O5S — CID 46009447

IUPACN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cccc(OC)c1OCc1nc(CN(CCN2CCOCC2)C(=O)c2ccccc2F)cs1
InChIInChI=1S/C26H30FN3O5S/c1-32-22-8-5-9-23(33-2)25(22)35-17-24-28-19(18-36-24)16-30(11-10-29-12-14-34-15-13-29)26(31)20-6-3-4-7-21(20)27/h3-9,18H,10-17H2,1-2H3
InChIKeyYNJCWTZILSYTSY-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.85
Rot. Bonds11

About N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46009447) has the molecular formula C26H30FN3O5S and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46009447
Molecular FormulaC26H30FN3O5S
Molecular Weight515.61 g/mol
Exact Mass515.19
IUPAC NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cccc(OC)c1OCc1nc(CN(CCN2CCOCC2)C(=O)c2ccccc2F)cs1
InChIInChI=1S/C26H30FN3O5S/c1-32-22-8-5-9-23(33-2)25(22)35-17-24-28-19(18-36-24)16-30(11-10-29-12-14-34-15-13-29)26(31)20-6-3-4-7-21(20)27/h3-9,18H,10-17H2,1-2H3
InChIKeyYNJCWTZILSYTSY-UHFFFAOYSA-N
XLogP3.85
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 46009447) is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is COc1cccc(OC)c1OCc1nc(CN(CCN2CCOCC2)C(=O)c2ccccc2F)cs1.
What is the InChIKey of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is YNJCWTZILSYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5S/c1-32-22-8-5-9-23(33-2)25(22)35-17-24-28-19(18-36-24)16-30(11-10-29-12-14-34-15-13-29)26(31)20-6-3-4-7-21(20)27/h3-9,18H,10-17H2,1-2H3.
What are the key properties of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 515.61 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46009447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).