[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C25H28N2O4S — CID 10434025

IUPAC[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCCC3CCO)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-30-20-10-6-17(7-11-20)22-23(18-8-12-21(31-2)13-9-18)32-24(26-22)25(29)27-15-4-3-5-19(27)14-16-28/h6-13,19,28H,3-5,14-16H2,1-2H3
InChIKeyPZLTTZCXVKXRSW-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.87
Rot. Bonds7

About [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 10434025) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID10434025
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCCC3CCO)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-30-20-10-6-17(7-11-20)22-23(18-8-12-21(31-2)13-9-18)32-24(26-22)25(29)27-15-4-3-5-19(27)14-16-28/h6-13,19,28H,3-5,14-16H2,1-2H3
InChIKeyPZLTTZCXVKXRSW-UHFFFAOYSA-N
XLogP4.87
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 10434025) is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is COc1ccc(-c2nc(C(=O)N3CCCCC3CCO)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is PZLTTZCXVKXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-30-20-10-6-17(7-11-20)22-23(18-8-12-21(31-2)13-9-18)32-24(26-22)25(29)27-15-4-3-5-19(27)14-16-28/h6-13,19,28H,3-5,14-16H2,1-2H3.
What are the key properties of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 452.58 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 10434025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).