2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C20H19FN2O4S — CID 55723018

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c(OC)c1
InChIInChI=1S/C20H19FN2O4S/c1-25-14-6-4-12(18(10-14)27-3)8-19(24)23-20-22-16(11-28-20)15-9-13(21)5-7-17(15)26-2/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)
InChIKeyYZNCLBAXNMUEMQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.16
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55723018) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55723018
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c(OC)c1
InChIInChI=1S/C20H19FN2O4S/c1-25-14-6-4-12(18(10-14)27-3)8-19(24)23-20-22-16(11-28-20)15-9-13(21)5-7-17(15)26-2/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)
InChIKeyYZNCLBAXNMUEMQ-UHFFFAOYSA-N
XLogP4.16
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
2-(2,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 36539541
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
2-(2,4-dimethoxyphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16911637
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24555292
4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 78878927
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55388150

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 55723018) is 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YZNCLBAXNMUEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-25-14-6-4-12(18(10-14)27-3)8-19(24)23-20-22-16(11-28-20)15-9-13(21)5-7-17(15)26-2/h4-7,9-11H,8H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55723018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).