N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C20H20N2O3S — CID 46003204

IUPACN-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)NCc2ccccc2)cs1
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-17(18(10-14)24-2)25-12-19-22-16(13-26-19)20(23)21-11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyWKVNTHJZVRJBBT-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.97
Rot. Bonds7

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

N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46003204) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46003204
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)NCc2ccccc2)cs1
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-17(18(10-14)24-2)25-12-19-22-16(13-26-19)20(23)21-11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyWKVNTHJZVRJBBT-UHFFFAOYSA-N
XLogP3.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003298
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003308
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
2-[(2,6-dimethoxyphenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46003459
2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 57182035
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003156
N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106073
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 46106113
2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5061135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46003204) is N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is COc1cc(C)ccc1OCc1nc(C(=O)NCc2ccccc2)cs1.
What is the InChIKey of N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WKVNTHJZVRJBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-8-9-17(18(10-14)24-2)25-12-19-22-16(13-26-19)20(23)21-11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46003204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).