2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide

C23H20N4O3S — CID 110492871

IUPAC2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)c1
InChIInChI=1S/C23H20N4O3S/c1-29-19-3-2-4-20(13-19)30-14-22(28)25-17-5-7-18(8-6-17)26-23-27-21(15-31-23)16-9-11-24-12-10-16/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyRKCAABFKYNRJFA-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.97
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide

2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide (PubChem CID 110492871) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
PubChem CID110492871
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)c1
InChIInChI=1S/C23H20N4O3S/c1-29-19-3-2-4-20(13-19)30-14-22(28)25-17-5-7-18(8-6-17)26-23-27-21(15-31-23)16-9-11-24-12-10-16/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyRKCAABFKYNRJFA-UHFFFAOYSA-N
XLogP4.97
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
2-bromo-1-pyridin-4-ylethanone;N-(4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;(4-methoxyphenyl)thiourea
CID 160587223
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide (CID 110492871) is 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide is COc1cccc(OCC(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is RKCAABFKYNRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-29-19-3-2-4-20(13-19)30-14-22(28)25-17-5-7-18(8-6-17)26-23-27-21(15-31-23)16-9-11-24-12-10-16/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 432.51 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 110492871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).