N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C20H20N2O3S — CID 110648795

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)sc2-c2ccccc2)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-13-22-18(19(26-13)15-7-5-4-6-8-15)20(23)21-12-14-9-10-16(24-2)17(11-14)25-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZCHVXHUOVSLHTR-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.07
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110648795) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110648795
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)sc2-c2ccccc2)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-13-22-18(19(26-13)15-7-5-4-6-8-15)20(23)21-12-14-9-10-16(24-2)17(11-14)25-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZCHVXHUOVSLHTR-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 46942823
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497970
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 90300892
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 110648795) is N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2nc(C)sc2-c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZCHVXHUOVSLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-22-18(19(26-13)15-7-5-4-6-8-15)20(23)21-12-14-9-10-16(24-2)17(11-14)25-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110648795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).