N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide

C17H18N4O3S3 — CID 177318952

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
SMILESCCSCCOc1ncc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)s1
InChIInChI=1S/C17H18N4O3S3/c1-3-25-7-6-24-17-20-10-14(26-17)27(22,23)21-13-5-4-11(2)15-12(8-18)9-19-16(13)15/h4-5,9-10,19,21H,3,6-7H2,1-2H3
InChIKeyOPWXKJRRIRZWCX-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.74
Rot. Bonds8

About N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide (PubChem CID 177318952) has the molecular formula C17H18N4O3S3 and a molecular weight of 422.56 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
PubChem CID177318952
Molecular FormulaC17H18N4O3S3
Molecular Weight422.56 g/mol
Exact Mass422.05
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
SMILESCCSCCOc1ncc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)s1
InChIInChI=1S/C17H18N4O3S3/c1-3-25-7-6-24-17-20-10-14(26-17)27(22,23)21-13-5-4-11(2)15-12(8-18)9-19-16(13)15/h4-5,9-10,19,21H,3,6-7H2,1-2H3
InChIKeyOPWXKJRRIRZWCX-UHFFFAOYSA-N
XLogP3.74
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-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

Related Compounds

2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 172572416
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
CID 172572602
7-[(2-ethyl-1,3-thiazol-5-yl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 170949685
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
CID 171664629
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(4-methylpiperazine-1-carbonyl)-1,3-thiazole-2-sulfonamide
CID 170949383
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide (CID 177318952) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide is CCSCCOc1ncc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)s1.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide?
The InChIKey is OPWXKJRRIRZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S3/c1-3-25-7-6-24-17-20-10-14(26-17)27(22,23)21-13-5-4-11(2)15-12(8-18)9-19-16(13)15/h4-5,9-10,19,21H,3,6-7H2,1-2H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide has a molecular weight of 422.56 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 177318952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).