3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid

C15H16N2O2S — CID 79402435

IUPAC3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(Nc2cccc3c2CCCC3)c1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-9-13(15(18)19)14(20-17-9)16-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8,16H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyWBOXWWWXUNLVJJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.77
Rot. Bonds3

About 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 79402435) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID79402435
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(Nc2cccc3c2CCCC3)c1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-9-13(15(18)19)14(20-17-9)16-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8,16H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyWBOXWWWXUNLVJJ-UHFFFAOYSA-N
XLogP3.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid (CID 79402435) is 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(Nc2cccc3c2CCCC3)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is WBOXWWWXUNLVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-13(15(18)19)14(20-17-9)16-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8,16H,2-3,5,7H2,1H3,(H,18,19).
What are the key properties of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).