3-methyl-N-thiophen-3-yl-2H-indazol-6-amine

C12H11N3S — CID 90028476

IUPAC3-methyl-N-thiophen-3-yl-2H-indazol-6-amine
SMILESCc1[nH]nc2cc(Nc3ccsc3)ccc12
InChIInChI=1S/C12H11N3S/c1-8-11-3-2-9(6-12(11)15-14-8)13-10-4-5-16-7-10/h2-7,13H,1H3,(H,14,15)
InChIKeyPKYZCAIJCKYSJD-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.68
Rot. Bonds2

About 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine

3-methyl-N-thiophen-3-yl-2H-indazol-6-amine (PubChem CID 90028476) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine.

Molecular Properties

Compound Name3-methyl-N-thiophen-3-yl-2H-indazol-6-amine
PubChem CID90028476
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name3-methyl-N-thiophen-3-yl-2H-indazol-6-amine
SMILESCc1[nH]nc2cc(Nc3ccsc3)ccc12
InChIInChI=1S/C12H11N3S/c1-8-11-3-2-9(6-12(11)15-14-8)13-10-4-5-16-7-10/h2-7,13H,1H3,(H,14,15)
InChIKeyPKYZCAIJCKYSJD-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine 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-N-thiophen-3-yl-2H-indazol-6-amine?
The IUPAC name of 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine (CID 90028476) is 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine.
What is the SMILES notation for 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine?
The canonical SMILES for 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine is Cc1[nH]nc2cc(Nc3ccsc3)ccc12.
What is the InChIKey of 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine?
The InChIKey is PKYZCAIJCKYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8-11-3-2-9(6-12(11)15-14-8)13-10-4-5-16-7-10/h2-7,13H,1H3,(H,14,15).
What are the key properties of 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine?
3-methyl-N-thiophen-3-yl-2H-indazol-6-amine has a molecular weight of 229.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-thiophen-3-yl-2H-indazol-6-amine is sourced from PubChem (CID 90028476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).