N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide

C16H20FN3O2S — CID 91830930

IUPACN-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1nccs1
InChIInChI=1S/C16H20FN3O2S/c1-12-3-4-13(9-14(12)17)19-15(21)10-20(6-7-22-2)11-16-18-5-8-23-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyFHIDISWKFVKBNM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.68
Rot. Bonds8

About N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide

N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide (PubChem CID 91830930) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide
PubChem CID91830930
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1nccs1
InChIInChI=1S/C16H20FN3O2S/c1-12-3-4-13(9-14(12)17)19-15(21)10-20(6-7-22-2)11-16-18-5-8-23-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyFHIDISWKFVKBNM-UHFFFAOYSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide (CID 91830930) is N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide is COCCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1nccs1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
The InChIKey is FHIDISWKFVKBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-12-3-4-13(9-14(12)17)19-15(21)10-20(6-7-22-2)11-16-18-5-8-23-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 91830930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).