5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid

C17H15NO2S — CID 103238475

IUPAC5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CNc1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2S/c1-11-14(9-16(21-11)17(19)20)10-18-15-7-6-12-4-2-3-5-13(12)8-15/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyGVHJRLDLZQWOEH-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.52
Rot. Bonds4

About 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid

5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103238475) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103238475
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CNc1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2S/c1-11-14(9-16(21-11)17(19)20)10-18-15-7-6-12-4-2-3-5-13(12)8-15/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyGVHJRLDLZQWOEH-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(anilinomethyl)-5-methylthiophene-2-carboxylic acid
CID 103230882
4-[(4-ethoxyanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103231765
4-[[3-(dimethylamino)-4-methylanilino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103260528
2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid
CID 854084
4-[(4-fluoro-3-methoxyanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103269179
4-[(hydroxyamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103282710
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
4-[(3,3-dimethylbutan-2-ylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103265270
5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 103232450
4-[(2,5-difluoro-4-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103586416
5-methyl-4-[(3-methylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103230444
5-methyl-4-[(2-methylpentan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103264443

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid (CID 103238475) is 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CNc1ccc2ccccc2c1.
What is the InChIKey of 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is GVHJRLDLZQWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-11-14(9-16(21-11)17(19)20)10-18-15-7-6-12-4-2-3-5-13(12)8-15/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid?
5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103238475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).