(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol

C13H16N2O2S — CID 32611074

IUPAC(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C13H16N2O2S/c16-11-3-1-5-15(8-11)7-10-9-18-13(14-10)12-4-2-6-17-12/h2,4,6,9,11,16H,1,3,5,7-8H2/t11-/m0/s1
InChIKeyRAQUGICSBBEKQD-NSHDSACASA-N
MW264.35 g/mol
LogP2.36
Rot. Bonds3

About (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol

(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol (PubChem CID 32611074) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
PubChem CID32611074
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C13H16N2O2S/c16-11-3-1-5-15(8-11)7-10-9-18-13(14-10)12-4-2-6-17-12/h2,4,6,9,11,16H,1,3,5,7-8H2/t11-/m0/s1
InChIKeyRAQUGICSBBEKQD-NSHDSACASA-N
XLogP2.36
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-(furan-2-yl)-4-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 138001376
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol (CID 32611074) is (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1.
What is the InChIKey of (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is RAQUGICSBBEKQD-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-11-3-1-5-15(8-11)7-10-9-18-13(14-10)12-4-2-6-17-12/h2,4,6,9,11,16H,1,3,5,7-8H2/t11-/m0/s1.
What are the key properties of (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 264.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 32611074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).