(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol

C10H16N2OS — CID 130802814

IUPAC(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(Cc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c1-8-4-9(13)6-12(5-8)7-10-11-2-3-14-10/h2-3,8-9,13H,4-7H2,1H3/t8-,9+/m1/s1
InChIKeyUYXVABRXASMROI-BDAKNGLRSA-N
MW212.32 g/mol
LogP1.35
Rot. Bonds2

About (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol

(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol (PubChem CID 130802814) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol
PubChem CID130802814
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(Cc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c1-8-4-9(13)6-12(5-8)7-10-11-2-3-14-10/h2-3,8-9,13H,4-7H2,1H3/t8-,9+/m1/s1
InChIKeyUYXVABRXASMROI-BDAKNGLRSA-N
XLogP1.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol
CID 130802820
2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 99832802
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
(2R,3aS,6aS)-2-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369160
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(7R,8aS)-2-(2-phenylethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-7-ol
CID 125417566
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 91831848
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
CID 95761653
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
(3aR,6aS)-5-phenyl-2-(1,3-thiazol-2-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124520088
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol (CID 130802814) is (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol is C[C@@H]1C[C@H](O)CN(Cc2nccs2)C1.
What is the InChIKey of (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol?
The InChIKey is UYXVABRXASMROI-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-4-9(13)6-12(5-8)7-10-11-2-3-14-10/h2-3,8-9,13H,4-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol?
(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 130802814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).