[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C20H20N2O3S — CID 47024879

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H20N2O3S/c23-18(14-5-2-1-3-6-14)15-8-10-22(11-9-15)20(24)16-13-26-19(21-16)17-7-4-12-25-17/h1-7,12-13,15,18,23H,8-11H2
InChIKeyJCTNYIZHIAKYHN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.99
Rot. Bonds4

About [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 47024879) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID47024879
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H20N2O3S/c23-18(14-5-2-1-3-6-14)15-8-10-22(11-9-15)20(24)16-13-26-19(21-16)17-7-4-12-25-17/h1-7,12-13,15,18,23H,8-11H2
InChIKeyJCTNYIZHIAKYHN-UHFFFAOYSA-N
XLogP3.99
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 47024879) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is JCTNYIZHIAKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-18(14-5-2-1-3-6-14)15-8-10-22(11-9-15)20(24)16-13-26-19(21-16)17-7-4-12-25-17/h1-7,12-13,15,18,23H,8-11H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 47024879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).