N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C22H19N3O3S — CID 118716434

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2csc3ncc(C(=O)NCCc4ccc5c(c4)OCO5)n23)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-2-5-16(6-3-14)18-12-29-22-24-11-17(25(18)22)21(26)23-9-8-15-4-7-19-20(10-15)28-13-27-19/h2-7,10-12H,8-9,13H2,1H3,(H,23,26)
InChIKeyGFGLSXAERZEIHU-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118716434) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118716434
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2csc3ncc(C(=O)NCCc4ccc5c(c4)OCO5)n23)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-2-5-16(6-3-14)18-12-29-22-24-11-17(25(18)22)21(26)23-9-8-15-4-7-19-20(10-15)28-13-27-19/h2-7,10-12H,8-9,13H2,1H3,(H,23,26)
InChIKeyGFGLSXAERZEIHU-UHFFFAOYSA-N
XLogP4.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide 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-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118716434) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccc(-c2csc3ncc(C(=O)NCCc4ccc5c(c4)OCO5)n23)cc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is GFGLSXAERZEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-2-5-16(6-3-14)18-12-29-22-24-11-17(25(18)22)21(26)23-9-8-15-4-7-19-20(10-15)28-13-27-19/h2-7,10-12H,8-9,13H2,1H3,(H,23,26).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118716434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).