N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide

C14H12N4O2S2 — CID 171664629

IUPACN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)s1
InChIInChI=1S/C14H12N4O2S2/c1-2-12-16-8-13(21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-17-14(10)11/h3-5,7-8,17-18H,2H2,1H3
InChIKeyGLHKUOORZHHFPL-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.86
Rot. Bonds4

About N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide

N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide (PubChem CID 171664629) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
PubChem CID171664629
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)s1
InChIInChI=1S/C14H12N4O2S2/c1-2-12-16-8-13(21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-17-14(10)11/h3-5,7-8,17-18H,2H2,1H3
InChIKeyGLHKUOORZHHFPL-UHFFFAOYSA-N
XLogP2.86
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide 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 N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide (CID 171664629) is N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)s1.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is GLHKUOORZHHFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-2-12-16-8-13(21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-17-14(10)11/h3-5,7-8,17-18H,2H2,1H3.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 332.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171664629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).