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

C14H11ClN2O2S — CID 62071339

IUPAC5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
SMILESCc1ncsc1CCN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C14H11ClN2O2S/c1-8-12(20-7-16-8)4-5-17-11-3-2-9(15)6-10(11)13(18)14(17)19/h2-3,6-7H,4-5H2,1H3
InChIKeyJVZONUQXDOAMND-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.88
Rot. Bonds3

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

5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione (PubChem CID 62071339) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
PubChem CID62071339
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
SMILESCc1ncsc1CCN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C14H11ClN2O2S/c1-8-12(20-7-16-8)4-5-17-11-3-2-9(15)6-10(11)13(18)14(17)19/h2-3,6-7H,4-5H2,1H3
InChIKeyJVZONUQXDOAMND-UHFFFAOYSA-N
XLogP2.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]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 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione (CID 62071339) is 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione is Cc1ncsc1CCN1C(=O)C(=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
The InChIKey is JVZONUQXDOAMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-8-12(20-7-16-8)4-5-17-11-3-2-9(15)6-10(11)13(18)14(17)19/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione has a molecular weight of 306.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 62071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).