2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide

C19H19N3O3S — CID 110317920

IUPAC2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nc(-c3ccccn3)cs2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-7-6-13(9-17(16)25-2)10-18(23)21-11-19-22-15(12-26-19)14-5-3-4-8-20-14/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyLZDXNWKDLDFLBY-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.08
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110317920) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110317920
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nc(-c3ccccn3)cs2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-7-6-13(9-17(16)25-2)10-18(23)21-11-19-22-15(12-26-19)14-5-3-4-8-20-14/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyLZDXNWKDLDFLBY-UHFFFAOYSA-N
XLogP3.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846690
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110317876
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 110317920) is 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2nc(-c3ccccn3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is LZDXNWKDLDFLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-7-6-13(9-17(16)25-2)10-18(23)21-11-19-22-15(12-26-19)14-5-3-4-8-20-14/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).