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

C24H27FN2O4S — CID 46009458

IUPACN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(OC)c1OCc1nc(CN(CC(C)C)C(=O)c2ccccc2F)cs1
InChIInChI=1S/C24H27FN2O4S/c1-16(2)12-27(24(28)18-8-5-6-9-19(18)25)13-17-15-32-22(26-17)14-31-23-20(29-3)10-7-11-21(23)30-4/h5-11,15-16H,12-14H2,1-4H3
InChIKeyKYMYEWDUPSSACV-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.18
Rot. Bonds10

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

N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 46009458) has the molecular formula C24H27FN2O4S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID46009458
Molecular FormulaC24H27FN2O4S
Molecular Weight458.56 g/mol
Exact Mass458.17
IUPAC NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(OC)c1OCc1nc(CN(CC(C)C)C(=O)c2ccccc2F)cs1
InChIInChI=1S/C24H27FN2O4S/c1-16(2)12-27(24(28)18-8-5-6-9-19(18)25)13-17-15-32-22(26-17)14-31-23-20(29-3)10-7-11-21(23)30-4/h5-11,15-16H,12-14H2,1-4H3
InChIKeyKYMYEWDUPSSACV-UHFFFAOYSA-N
XLogP5.18
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methylpropyl)benzamide?
The IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide (CID 46009458) is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide is COc1cccc(OC)c1OCc1nc(CN(CC(C)C)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-methylpropyl)benzamide?
The InChIKey is KYMYEWDUPSSACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4S/c1-16(2)12-27(24(28)18-8-5-6-9-19(18)25)13-17-15-32-22(26-17)14-31-23-20(29-3)10-7-11-21(23)30-4/h5-11,15-16H,12-14H2,1-4H3.
What are the key properties of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylpropyl)benzamide is sourced from PubChem (CID 46009458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).