2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C22H21ClN2O4S — CID 55446004

IUPAC2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)CC1COc2ccccc2O1
InChIInChI=1S/C22H21ClN2O4S/c1-14-21(30-20(24-14)13-27-16-9-7-15(23)8-10-16)22(26)25(2)11-17-12-28-18-5-3-4-6-19(18)29-17/h3-10,17H,11-13H2,1-2H3
InChIKeyKHEMTBLTRBZILH-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.60
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 55446004) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID55446004
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)CC1COc2ccccc2O1
InChIInChI=1S/C22H21ClN2O4S/c1-14-21(30-20(24-14)13-27-16-9-7-15(23)8-10-16)22(26)25(2)11-17-12-28-18-5-3-4-6-19(18)29-17/h3-10,17H,11-13H2,1-2H3
InChIKeyKHEMTBLTRBZILH-UHFFFAOYSA-N
XLogP4.60
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-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

Related Compounds

2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 46586534
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232739
2-[(4-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55918744
6-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 31984219
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 155946449
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethylquinoxaline-6-carboxamide
CID 42894511
N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935904
[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99698816
2-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189229
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
CID 125447863

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 55446004) is 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)CC1COc2ccccc2O1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KHEMTBLTRBZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-14-21(30-20(24-14)13-27-16-9-7-15(23)8-10-16)22(26)25(2)11-17-12-28-18-5-3-4-6-19(18)29-17/h3-10,17H,11-13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55446004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).