N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide

C16H20N2O3S — CID 86849592

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2csc(C)n2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-10-6-14(20-4)15(21-5)7-12(10)8-18(3)16(19)13-9-22-11(2)17-13/h6-7,9H,8H2,1-5H3
InChIKeyLVPYJRDVORXFDX-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.05
Rot. Bonds5

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 86849592) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID86849592
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2csc(C)n2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-10-6-14(20-4)15(21-5)7-12(10)8-18(3)16(19)13-9-22-11(2)17-13/h6-7,9H,8H2,1-5H3
InChIKeyLVPYJRDVORXFDX-UHFFFAOYSA-N
XLogP3.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809788
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 43072331
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472
N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 131941918

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide (CID 86849592) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide is COc1cc(C)c(CN(C)C(=O)c2csc(C)n2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is LVPYJRDVORXFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-6-14(20-4)15(21-5)7-12(10)8-18(3)16(19)13-9-22-11(2)17-13/h6-7,9H,8H2,1-5H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86849592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).