2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole

C11H18N2OS — CID 97162415

IUPAC2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
SMILESC[C@H](OC[C@@H]1CCCCN1)c1nccs1
InChIInChI=1S/C11H18N2OS/c1-9(11-13-6-7-15-11)14-8-10-4-2-3-5-12-10/h6-7,9-10,12H,2-5,8H2,1H3/t9-,10-/m0/s1
InChIKeyUJTRIJYQNKRSJF-UWVGGRQHSA-N
MW226.34 g/mol
LogP2.36
Rot. Bonds4

About 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole

2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole (PubChem CID 97162415) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
PubChem CID97162415
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
SMILESC[C@H](OC[C@@H]1CCCCN1)c1nccs1
InChIInChI=1S/C11H18N2OS/c1-9(11-13-6-7-15-11)14-8-10-4-2-3-5-12-10/h6-7,9-10,12H,2-5,8H2,1H3/t9-,10-/m0/s1
InChIKeyUJTRIJYQNKRSJF-UWVGGRQHSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-[[(2R)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162417
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
CID 97162411
2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
CID 71637955
(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
CID 97162429
2-[(1R)-1-[[(2R)-pyrrolidin-2-yl]methoxy]ethyl]pyrazine
CID 97162438
2-[(1R)-1-[[(2S)-pyrrolidin-2-yl]methoxy]ethyl]pyridine
CID 97162432
(2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine
CID 97162402
N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
CID 79559653
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
N-methyl-N-(2-piperidin-2-ylethyl)-1,3-thiazol-2-amine
CID 83839715

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole (CID 97162415) is 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole is C[C@H](OC[C@@H]1CCCCN1)c1nccs1.
What is the InChIKey of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole?
The InChIKey is UJTRIJYQNKRSJF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(11-13-6-7-15-11)14-8-10-4-2-3-5-12-10/h6-7,9-10,12H,2-5,8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole?
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 97162415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).