2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

C16H13NO3S — CID 115422375

IUPAC2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C)s2)c2ccccc12
InChIInChI=1S/C16H13NO3S/c1-9-14(16(18)19)17-15(21-9)12-7-8-13(20-2)11-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,18,19)
InChIKeyPEVUCEKVZBLNTF-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115422375) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115422375
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C)s2)c2ccccc12
InChIInChI=1S/C16H13NO3S/c1-9-14(16(18)19)17-15(21-9)12-7-8-13(20-2)11-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,18,19)
InChIKeyPEVUCEKVZBLNTF-UHFFFAOYSA-N
XLogP3.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-3,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422373
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306488
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114937601
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422773
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 66509643
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115422375) is 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nc(C(=O)O)c(C)s2)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is PEVUCEKVZBLNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-9-14(16(18)19)17-15(21-9)12-7-8-13(20-2)11-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).