methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid

C18H18N2O3S — CID 158830341

IUPACmethane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid
SMILESC.Cc1ccc(Oc2sc(C(=O)O)c3c2-c2[nH]ncc2CC3)cc1
InChIInChI=1S/C17H14N2O3S.CH4/c1-9-2-5-11(6-3-9)22-17-13-12(15(23-17)16(20)21)7-4-10-8-18-19-14(10)13;/h2-3,5-6,8H,4,7H2,1H3,(H,18,19)(H,20,21);1H4
InChIKeyIWYRLMCJAAVQES-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.67
Rot. Bonds3

About methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid

methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid (PubChem CID 158830341) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid.

Molecular Properties

Compound Namemethane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid
PubChem CID158830341
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Namemethane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid
SMILESC.Cc1ccc(Oc2sc(C(=O)O)c3c2-c2[nH]ncc2CC3)cc1
InChIInChI=1S/C17H14N2O3S.CH4/c1-9-2-5-11(6-3-9)22-17-13-12(15(23-17)16(20)21)7-4-10-8-18-19-14(10)13;/h2-3,5-6,8H,4,7H2,1H3,(H,18,19)(H,20,21);1H4
InChIKeyIWYRLMCJAAVQES-UHFFFAOYSA-N
XLogP4.67
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-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 methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid?
The IUPAC name of methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid (CID 158830341) is methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid.
What is the SMILES notation for methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid?
The canonical SMILES for methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid is C.Cc1ccc(Oc2sc(C(=O)O)c3c2-c2[nH]ncc2CC3)cc1.
What is the InChIKey of methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid?
The InChIKey is IWYRLMCJAAVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S.CH4/c1-9-2-5-11(6-3-9)22-17-13-12(15(23-17)16(20)21)7-4-10-8-18-19-14(10)13;/h2-3,5-6,8H,4,7H2,1H3,(H,18,19)(H,20,21);1H4.
What are the key properties of methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid?
methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxylic acid is sourced from PubChem (CID 158830341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).