2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide

C19H19N3O2S — CID 110285011

IUPAC2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-4-6-17(7-5-14)24-12-18(23)21-10-8-16-13-25-19(22-16)15-3-2-9-20-11-15/h2-7,9,11,13H,8,10,12H2,1H3,(H,21,23)
InChIKeyYKUKUKBLGBGCCM-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.25
Rot. Bonds7

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

2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 110285011) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID110285011
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-4-6-17(7-5-14)24-12-18(23)21-10-8-16-13-25-19(22-16)15-3-2-9-20-11-15/h2-7,9,11,13H,8,10,12H2,1H3,(H,21,23)
InChIKeyYKUKUKBLGBGCCM-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35343656
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770965
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35344762
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118779413
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 110285011) is 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is YKUKUKBLGBGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-4-6-17(7-5-14)24-12-18(23)21-10-8-16-13-25-19(22-16)15-3-2-9-20-11-15/h2-7,9,11,13H,8,10,12H2,1H3,(H,21,23).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110285011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).