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

C22H25N3O3S — CID 108770964

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2csc(-c3cccnc3)n2)c(C(C)(C)C)c1
InChIInChI=1S/C22H25N3O3S/c1-22(2,3)18-10-17(27-4)7-8-19(18)28-13-20(26)24-12-16-14-29-21(25-16)15-6-5-9-23-11-15/h5-11,14H,12-13H2,1-4H3,(H,24,26)
InChIKeyHUFMYBMCOMLSFC-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.21
Rot. Bonds7

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

2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 108770964) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID108770964
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2csc(-c3cccnc3)n2)c(C(C)(C)C)c1
InChIInChI=1S/C22H25N3O3S/c1-22(2,3)18-10-17(27-4)7-8-19(18)28-13-20(26)24-12-16-14-29-21(25-16)15-6-5-9-23-11-15/h5-11,14H,12-13H2,1-4H3,(H,24,26)
InChIKeyHUFMYBMCOMLSFC-UHFFFAOYSA-N
XLogP4.21
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770965
2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761342
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108810268
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55635271

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 108770964) is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide is COc1ccc(OCC(=O)NCc2csc(-c3cccnc3)n2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is HUFMYBMCOMLSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-22(2,3)18-10-17(27-4)7-8-19(18)28-13-20(26)24-12-16-14-29-21(25-16)15-6-5-9-23-11-15/h5-11,14H,12-13H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 108770964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).