4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

C17H15NO2S — CID 83969610

IUPAC4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Cc2ccc3ccccc3c2)sc1C(=O)O
InChIInChI=1S/C17H15NO2S/c1-2-14-16(17(19)20)21-15(18-14)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyKZGVTHXXRCPQSO-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.15
Rot. Bonds4

About 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 83969610) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID83969610
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Cc2ccc3ccccc3c2)sc1C(=O)O
InChIInChI=1S/C17H15NO2S/c1-2-14-16(17(19)20)21-15(18-14)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyKZGVTHXXRCPQSO-UHFFFAOYSA-N
XLogP4.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82154201
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522
2-[(3-carboxyphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154844
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326
2-[[benzyl(propan-2-yl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94970822
2-benzyl-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428384
4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227258
2-[(2-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838467
2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838357
2-[(4-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459181
4-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylic acid
CID 104838402

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 83969610) is 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(Cc2ccc3ccccc3c2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KZGVTHXXRCPQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-2-14-16(17(19)20)21-15(18-14)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83969610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).