N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H21N3O3S — CID 22585266

IUPACN-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(-c2nc3n(c2CNC(=O)C2COc4ccccc4O2)CCS3)cc1
InChIInChI=1S/C22H21N3O3S/c1-14-6-8-15(9-7-14)20-16(25-10-11-29-22(25)24-20)12-23-21(26)19-13-27-17-4-2-3-5-18(17)28-19/h2-9,19H,10-13H2,1H3,(H,23,26)
InChIKeyHHZXURRIJADTNQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.42
Rot. Bonds4

About N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 22585266) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID22585266
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(-c2nc3n(c2CNC(=O)C2COc4ccccc4O2)CCS3)cc1
InChIInChI=1S/C22H21N3O3S/c1-14-6-8-15(9-7-14)20-16(25-10-11-29-22(25)24-20)12-23-21(26)19-13-27-17-4-2-3-5-18(17)28-19/h2-9,19H,10-13H2,1H3,(H,23,26)
InChIKeyHHZXURRIJADTNQ-UHFFFAOYSA-N
XLogP3.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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

N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide
CID 22585258
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122318228
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 146086644
4-chloro-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]benzamide
CID 27564684
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51098221
2-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 126777085
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108749292
(3S)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 25495848
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122353117
(3R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30379318
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132654968

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 22585266) is N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(-c2nc3n(c2CNC(=O)C2COc4ccccc4O2)CCS3)cc1.
What is the InChIKey of N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HHZXURRIJADTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-6-8-15(9-7-14)20-16(25-10-11-29-22(25)24-20)12-23-21(26)19-13-27-17-4-2-3-5-18(17)28-19/h2-9,19H,10-13H2,1H3,(H,23,26).
What are the key properties of N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 22585266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).