N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide

C22H17FN2O3S — CID 7583100

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1F
InChIInChI=1S/C22H17FN2O3S/c1-27-20-9-7-16(11-18(20)23)19-13-29-22(24-19)25-21(26)12-28-17-8-6-14-4-2-3-5-15(14)10-17/h2-11,13H,12H2,1H3,(H,24,25,26)
InChIKeyQIRWGZQHOCIRJY-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.13
Rot. Bonds6

About N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 7583100) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID7583100
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1F
InChIInChI=1S/C22H17FN2O3S/c1-27-20-9-7-16(11-18(20)23)19-13-29-22(24-19)25-21(26)12-28-17-8-6-14-4-2-3-5-15(14)10-17/h2-11,13H,12H2,1H3,(H,24,25,26)
InChIKeyQIRWGZQHOCIRJY-UHFFFAOYSA-N
XLogP5.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 54858715
3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55550029
2-(3,5-dimethylphenoxy)-N-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide
CID 54860441
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
(E)-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55437889
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide (CID 7583100) is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide is COc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is QIRWGZQHOCIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c1-27-20-9-7-16(11-18(20)23)19-13-29-22(24-19)25-21(26)12-28-17-8-6-14-4-2-3-5-15(14)10-17/h2-11,13H,12H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 408.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 7583100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).