N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide

C18H16FN3O2S — CID 110341908

IUPACN-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3ccccc3F)cs2)cn1
InChIInChI=1S/C18H16FN3O2S/c1-12-6-7-14(9-20-12)24-10-18-21-13(11-25-18)8-17(23)22-16-5-3-2-4-15(16)19/h2-7,9,11H,8,10H2,1H3,(H,22,23)
InChIKeyYMBUSVBPRRRSBK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide

N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 110341908) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
PubChem CID110341908
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3ccccc3F)cs2)cn1
InChIInChI=1S/C18H16FN3O2S/c1-12-6-7-14(9-20-12)24-10-18-21-13(11-25-18)8-17(23)22-16-5-3-2-4-15(16)19/h2-7,9,11H,8,10H2,1H3,(H,22,23)
InChIKeyYMBUSVBPRRRSBK-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341903
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 110341861
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 110341832
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110341871
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342123
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide (CID 110341908) is N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3F)cs2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YMBUSVBPRRRSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-12-6-7-14(9-20-12)24-10-18-21-13(11-25-18)8-17(23)22-16-5-3-2-4-15(16)19/h2-7,9,11H,8,10H2,1H3,(H,22,23).
What are the key properties of N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide?
N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110341908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).