2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid

C16H13NO3S — CID 46741059

IUPAC2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H13NO3S/c18-16(19)8-13-10-21-15(17-13)9-20-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,10H,8-9H2,(H,18,19)
InChIKeyXIHKAWHKTGCFDS-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 46741059) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID46741059
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H13NO3S/c18-16(19)8-13-10-21-15(17-13)9-20-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,10H,8-9H2,(H,18,19)
InChIKeyXIHKAWHKTGCFDS-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
2-[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745392
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745420
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154388
2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 87418022
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid (CID 46741059) is 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XIHKAWHKTGCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-16(19)8-13-10-21-15(17-13)9-20-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 299.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 46741059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).