N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

C18H17N3O3S — CID 86836191

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCc1ncc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)s1
InChIInChI=1S/C18H17N3O3S/c1-13-20-10-16(25-13)11-21-17(22)12-23-14-5-7-15(8-6-14)24-18-4-2-3-9-19-18/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyUMFPWFCSMYIQNA-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.33
Rot. Bonds7

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 86836191) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID86836191
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCc1ncc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)s1
InChIInChI=1S/C18H17N3O3S/c1-13-20-10-16(25-13)11-21-17(22)12-23-14-5-7-15(8-6-14)24-18-4-2-3-9-19-18/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyUMFPWFCSMYIQNA-UHFFFAOYSA-N
XLogP3.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87004197
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36631288
1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841826
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 30901572
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 86836191) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is Cc1ncc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is UMFPWFCSMYIQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-20-10-16(25-13)11-21-17(22)12-23-14-5-7-15(8-6-14)24-18-4-2-3-9-19-18/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 86836191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).