2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone

C23H25N3O2S — CID 133447415

IUPAC2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(Nc2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C23H25N3O2S/c1-28-20-10-6-5-9-18(20)15-22(27)26-13-11-19(12-14-26)25-23-24-16-21(29-23)17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3,(H,24,25)
InChIKeyOTFAQMYHQLUWIG-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.46
Rot. Bonds6

About 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 133447415) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID133447415
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(Nc2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C23H25N3O2S/c1-28-20-10-6-5-9-18(20)15-22(27)26-13-11-19(12-14-26)25-23-24-16-21(29-23)17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3,(H,24,25)
InChIKeyOTFAQMYHQLUWIG-UHFFFAOYSA-N
XLogP4.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone (CID 133447415) is 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC(Nc2ncc(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is OTFAQMYHQLUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-28-20-10-6-5-9-18(20)15-22(27)26-13-11-19(12-14-26)25-23-24-16-21(29-23)17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3,(H,24,25).
What are the key properties of 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 407.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 133447415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).