1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione

C12H9N3O2S — CID 46702703

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione
SMILESCc1nc(Cn2ncc3c2C(=O)C=CC3=O)cs1
InChIInChI=1S/C12H9N3O2S/c1-7-14-8(6-18-7)5-15-12-9(4-13-15)10(16)2-3-11(12)17/h2-4,6H,5H2,1H3
InChIKeyUWDPTSUPWMHTGG-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.63
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione

1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione (PubChem CID 46702703) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione
PubChem CID46702703
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione
SMILESCc1nc(Cn2ncc3c2C(=O)C=CC3=O)cs1
InChIInChI=1S/C12H9N3O2S/c1-7-14-8(6-18-7)5-15-12-9(4-13-15)10(16)2-3-11(12)17/h2-4,6H,5H2,1H3
InChIKeyUWDPTSUPWMHTGG-UHFFFAOYSA-N
XLogP1.63
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione 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 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione (CID 46702703) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione is Cc1nc(Cn2ncc3c2C(=O)C=CC3=O)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione?
The InChIKey is UWDPTSUPWMHTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-7-14-8(6-18-7)5-15-12-9(4-13-15)10(16)2-3-11(12)17/h2-4,6H,5H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione has a molecular weight of 259.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione is sourced from PubChem (CID 46702703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).