N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine

C15H19N3OS — CID 116812404

IUPACN-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
SMILESCOCCNc1ncc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C15H19N3OS/c1-18-7-5-11-9-12(3-4-13(11)18)14-10-17-15(20-14)16-6-8-19-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeyYNCFMMBPNWYTHR-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds5

About N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine (PubChem CID 116812404) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
PubChem CID116812404
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
SMILESCOCCNc1ncc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C15H19N3OS/c1-18-7-5-11-9-12(3-4-13(11)18)14-10-17-15(20-14)16-6-8-19-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeyYNCFMMBPNWYTHR-UHFFFAOYSA-N
XLogP2.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine 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-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine (CID 116812404) is N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine is COCCNc1ncc(-c2ccc3c(c2)CCN3C)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is YNCFMMBPNWYTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-7-5-11-9-12(3-4-13(11)18)14-10-17-15(20-14)16-6-8-19-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).