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

C24H21N3O2S — CID 55806343

IUPACN-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H21N3O2S/c28-23(14-20-17-30-24(27-20)21-11-6-7-13-25-21)26-15-19-10-4-5-12-22(19)29-16-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,26,28)
InChIKeyINGIPOJTKICQAM-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.64
Rot. Bonds8

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

N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55806343) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55806343
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H21N3O2S/c28-23(14-20-17-30-24(27-20)21-11-6-7-13-25-21)26-15-19-10-4-5-12-22(19)29-16-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,26,28)
InChIKeyINGIPOJTKICQAM-UHFFFAOYSA-N
XLogP4.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 155948063
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108810942
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51257173
N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 167899738
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 55806343) is N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NCc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is INGIPOJTKICQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(14-20-17-30-24(27-20)21-11-6-7-13-25-21)26-15-19-10-4-5-12-22(19)29-16-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,26,28).
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55806343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).