2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

C20H20FN3O3S — CID 27377905

IUPAC2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H20FN3O3S/c1-26-16-7-8-18(27-2)17(10-16)24-20-23-15(12-28-20)9-19(25)22-11-13-3-5-14(21)6-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGNOOVZSJMMQUMY-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.90
Rot. Bonds8

About 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27377905) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27377905
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H20FN3O3S/c1-26-16-7-8-18(27-2)17(10-16)24-20-23-15(12-28-20)9-19(25)22-11-13-3-5-14(21)6-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGNOOVZSJMMQUMY-UHFFFAOYSA-N
XLogP3.90
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 27377905) is 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(OC)c(Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GNOOVZSJMMQUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-26-16-7-8-18(27-2)17(10-16)24-20-23-15(12-28-20)9-19(25)22-11-13-3-5-14(21)6-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27377905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).