N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C21H22N2O4S — CID 46003452

IUPACN-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(OC)c1OCc1nc(C(=O)N(C)Cc2ccccc2)cs1
InChIInChI=1S/C21H22N2O4S/c1-23(12-15-8-5-4-6-9-15)21(24)16-14-28-19(22-16)13-27-20-17(25-2)10-7-11-18(20)26-3/h4-11,14H,12-13H2,1-3H3
InChIKeyZQOXJGMQELRTRX-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.01
Rot. Bonds8

About N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46003452) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID46003452
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(OC)c1OCc1nc(C(=O)N(C)Cc2ccccc2)cs1
InChIInChI=1S/C21H22N2O4S/c1-23(12-15-8-5-4-6-9-15)21(24)16-14-28-19(22-16)13-27-20-17(25-2)10-7-11-18(20)26-3/h4-11,14H,12-13H2,1-3H3
InChIKeyZQOXJGMQELRTRX-UHFFFAOYSA-N
XLogP4.01
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dimethoxyphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46003443
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
2-[(2,6-dimethoxyphenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46003459
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
(2S)-3-[benzyl-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 97324026
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46564945
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003447
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
CID 1096806
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]-2-phenylacetamide
CID 42836795

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 46003452) is N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide is COc1cccc(OC)c1OCc1nc(C(=O)N(C)Cc2ccccc2)cs1.
What is the InChIKey of N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZQOXJGMQELRTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-23(12-15-8-5-4-6-9-15)21(24)16-14-28-19(22-16)13-27-20-17(25-2)10-7-11-18(20)26-3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).