2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid

C18H17NO3S — CID 82154417

IUPAC2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(CCOc2ccc3ccccc3c2)sc1CC(=O)O
InChIInChI=1S/C18H17NO3S/c1-12-16(11-18(20)21)23-17(19-12)8-9-22-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyBZRZDDDAASNUQH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.85
Rot. Bonds6

About 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82154417) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82154417
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(CCOc2ccc3ccccc3c2)sc1CC(=O)O
InChIInChI=1S/C18H17NO3S/c1-12-16(11-18(20)21)23-17(19-12)8-9-22-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyBZRZDDDAASNUQH-UHFFFAOYSA-N
XLogP3.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazole-5-carboxylic acid
CID 94760593
2-[2-[3-(3,4-dimethylphenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760737
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760749
2-[4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 94760741
3-[2-[2-(3,4-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94760768
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
3-[4-methyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-5-yl]propanoic acid
CID 82154423
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
3-[2-[3-(4-fluorophenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82154428
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid (CID 82154417) is 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid is Cc1nc(CCOc2ccc3ccccc3c2)sc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is BZRZDDDAASNUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12-16(11-18(20)21)23-17(19-12)8-9-22-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 327.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82154417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).