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

C19H17FN2O2S — CID 1143610

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN2O2S/c1-13-4-2-3-5-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-8-15(20)9-7-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyIRWPOPPVWJBSFH-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.20
Rot. Bonds6

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 1143610) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
PubChem CID1143610
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN2O2S/c1-13-4-2-3-5-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-8-15(20)9-7-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyIRWPOPPVWJBSFH-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678142
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2102526
US10913733, Example 42
CID 137361278
3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)acrylamide
CID 1113594
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (CID 1143610) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IRWPOPPVWJBSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-13-4-2-3-5-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-8-15(20)9-7-14/h2-9,11H,10,12H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1143610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).