4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione

C12H6Cl2N2O2S — CID 79764849

IUPAC4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cnc(Cl)s2)c2cccc(Cl)c21
InChIInChI=1S/C12H6Cl2N2O2S/c13-7-2-1-3-8-9(7)10(17)11(18)16(8)5-6-4-15-12(14)19-6/h1-4H,5H2
InChIKeyTUUMJGXRVTYVJR-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.18
Rot. Bonds2

About 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione

4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione (PubChem CID 79764849) has the molecular formula C12H6Cl2N2O2S and a molecular weight of 313.17 g/mol. Its IUPAC name is 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione
PubChem CID79764849
Molecular FormulaC12H6Cl2N2O2S
Molecular Weight313.17 g/mol
Exact Mass311.95
IUPAC Name4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cnc(Cl)s2)c2cccc(Cl)c21
InChIInChI=1S/C12H6Cl2N2O2S/c13-7-2-1-3-8-9(7)10(17)11(18)16(8)5-6-4-15-12(14)19-6/h1-4H,5H2
InChIKeyTUUMJGXRVTYVJR-UHFFFAOYSA-N
XLogP3.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-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 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione (CID 79764849) is 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cnc(Cl)s2)c2cccc(Cl)c21.
What is the InChIKey of 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is TUUMJGXRVTYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2S/c13-7-2-1-3-8-9(7)10(17)11(18)16(8)5-6-4-15-12(14)19-6/h1-4H,5H2.
What are the key properties of 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione?
4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 313.17 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79764849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).