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

C19H19N3O2S — CID 108771132

IUPAC2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2csc(-c3ccncc3)n2)cc1C
InChIInChI=1S/C19H19N3O2S/c1-13-3-4-17(9-14(13)2)24-11-18(23)21-10-16-12-25-19(22-16)15-5-7-20-8-6-15/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyGBZMFXQLJJXQLZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.52
Rot. Bonds6

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

2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 108771132) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID108771132
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2csc(-c3ccncc3)n2)cc1C
InChIInChI=1S/C19H19N3O2S/c1-13-3-4-17(9-14(13)2)24-11-18(23)21-10-16-12-25-19(22-16)15-5-7-20-8-6-15/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyGBZMFXQLJJXQLZ-UHFFFAOYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
4-(4-methoxyphenyl)-4-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108749253
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201
2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108761245
[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl] acetate
CID 108749134
2-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987002
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 5007614
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
CID 2987876
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 108771132) is 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide is Cc1ccc(OCC(=O)NCc2csc(-c3ccncc3)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is GBZMFXQLJJXQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-3-4-17(9-14(13)2)24-11-18(23)21-10-16-12-25-19(22-16)15-5-7-20-8-6-15/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 108771132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).