2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole

C9H14N2OS — CID 129372026

IUPAC2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole
SMILESc1csc(CO[C@@H]2CCCNC2)n1
InChIInChI=1S/C9H14N2OS/c1-2-8(6-10-3-1)12-7-9-11-4-5-13-9/h4-5,8,10H,1-3,6-7H2/t8-/m1/s1
InChIKeyWUWLPBGFCPIXLG-MRVPVSSYSA-N
MW198.29 g/mol
LogP1.41
Rot. Bonds3

About 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole

2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole (PubChem CID 129372026) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole
PubChem CID129372026
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole
SMILESc1csc(CO[C@@H]2CCCNC2)n1
InChIInChI=1S/C9H14N2OS/c1-2-8(6-10-3-1)12-7-9-11-4-5-13-9/h4-5,8,10H,1-3,6-7H2/t8-/m1/s1
InChIKeyWUWLPBGFCPIXLG-MRVPVSSYSA-N
XLogP1.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyrrolidin-3-yloxy)methyl]-1,3-thiazole
CID 75356563
2-(1,3-Thiazol-2-yl)morpholine
CID 53414274
(Piperidin-4-yl)(1,3-thiazol-2-yl)methanol dihydrochloride
CID 155970646
4-(1,3-Thiazol-2-yloxy)piperidine dihydrochloride
CID 171340461
(Piperidin-4-yl)(1,3-thiazol-2-yl)methanol
CID 83686260
(Tetrahydro-furan-2-ylmethyl)-thiazol-2-ylmethyl-amine
CID 4777618
2-[3-(1,3-Thiazol-2-yl)propoxy]ethylamine
CID 21913404
Morpholine;1,3-thiazole
CID 23459351
N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 57512957
2-[(Azetidin-3-yloxy)methyl]-1,3-thiazole hydrochloride
CID 67154480
2-[(Azetidin-3-yloxy)methyl]-1,3-thiazole
CID 67154481
2-(1,3-Thiazol-2-yl)oxetan-3-amine
CID 67481695

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole?
The IUPAC name of 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole (CID 129372026) is 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole is c1csc(CO[C@@H]2CCCNC2)n1.
What is the InChIKey of 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole?
The InChIKey is WUWLPBGFCPIXLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-8(6-10-3-1)12-7-9-11-4-5-13-9/h4-5,8,10H,1-3,6-7H2/t8-/m1/s1.
What are the key properties of 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole?
2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 129372026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).