2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C19H19N3O3S — CID 39199004

IUPAC2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(C)c(C=O)n2c1-c1ccc2c(c1)N(CC)C(=O)CO2
InChIInChI=1S/C19H19N3O3S/c1-4-16-18(22-14(9-23)11(3)20-19(22)26-16)12-6-7-15-13(8-12)21(5-2)17(24)10-25-15/h6-9H,4-5,10H2,1-3H3
InChIKeyPZRJHYBXYHRUTP-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.49
Rot. Bonds4

About 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199004) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199004
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(C)c(C=O)n2c1-c1ccc2c(c1)N(CC)C(=O)CO2
InChIInChI=1S/C19H19N3O3S/c1-4-16-18(22-14(9-23)11(3)20-19(22)26-16)12-6-7-15-13(8-12)21(5-2)17(24)10-25-15/h6-9H,4-5,10H2,1-3H3
InChIKeyPZRJHYBXYHRUTP-UHFFFAOYSA-N
XLogP3.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde 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

3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198964
2,6-diethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035727
2-ethyl-6-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198979
3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761480
6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one
CID 168555870
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 20997449
6-(1,3-benzodioxol-5-yl)-2-ethyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198909
2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 82035729
3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035737
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
6-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-1,4-benzoxazin-3-one
CID 53127053
6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
CID 3087431

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199004) is 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1sc2nc(C)c(C=O)n2c1-c1ccc2c(c1)N(CC)C(=O)CO2.
What is the InChIKey of 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is PZRJHYBXYHRUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-4-16-18(22-14(9-23)11(3)20-19(22)26-16)12-6-7-15-13(8-12)21(5-2)17(24)10-25-15/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 369.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).