2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium

C19H22N3O3S+ — CID 161203911

IUPAC2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C19H21N3O3S/c1-12-16(19(24)25-10-9-22(2,3)4)21-18(26-12)17(23)14-11-20-15-8-6-5-7-13(14)15/h5-8,11H,9-10H2,1-4H3/p+1
InChIKeyCHGJLCLXTFKCBW-UHFFFAOYSA-O
MW372.47 g/mol
LogP3.03
Rot. Bonds6

About 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium

2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium (PubChem CID 161203911) has the molecular formula C19H22N3O3S+ and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
PubChem CID161203911
Molecular FormulaC19H22N3O3S+
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C19H21N3O3S/c1-12-16(19(24)25-10-9-22(2,3)4)21-18(26-12)17(23)14-11-20-15-8-6-5-7-13(14)15/h5-8,11H,9-10H2,1-4H3/p+1
InChIKeyCHGJLCLXTFKCBW-UHFFFAOYSA-O
XLogP3.03
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium 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

1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
CID 159302887
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethane
CID 156795825
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 156515483
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
2-[2-(dimethylamino)ethoxy]ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515524
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide
CID 24836782
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium (CID 161203911) is 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium is Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium?
The InChIKey is CHGJLCLXTFKCBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O3S/c1-12-16(19(24)25-10-9-22(2,3)4)21-18(26-12)17(23)14-11-20-15-8-6-5-7-13(14)15/h5-8,11H,9-10H2,1-4H3/p+1.
What are the key properties of 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium?
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium has a molecular weight of 372.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 161203911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).