(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

C13H21N3OS — CID 74245068

IUPAC(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2nccs2)C[C@@H]1N1CCCCC1
InChIInChI=1S/C13H21N3OS/c17-12-9-15(10-13-14-4-7-18-13)8-11(12)16-5-2-1-3-6-16/h4,7,11-12,17H,1-3,5-6,8-10H2/t11-,12-/m0/s1
InChIKeyXXSPOBAJJBYWPL-RYUDHWBXSA-N
MW267.40 g/mol
LogP1.17
Rot. Bonds3

About (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 74245068) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID74245068
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2nccs2)C[C@@H]1N1CCCCC1
InChIInChI=1S/C13H21N3OS/c17-12-9-15(10-13-14-4-7-18-13)8-11(12)16-5-2-1-3-6-16/h4,7,11-12,17H,1-3,5-6,8-10H2/t11-,12-/m0/s1
InChIKeyXXSPOBAJJBYWPL-RYUDHWBXSA-N
XLogP1.17
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 126792267
(4aS,7aR)-4-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 124803650
2-[(4aS,7aR)-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylethanamine
CID 124806736
1-Methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 67481605
1-Ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 67481609
3-Piperazin-1-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 68381703
2-(Piperidin-4-ylamino)-1-(1,3-thiazol-2-yl)ethanol
CID 68381710
2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol
CID 68381711
1-(Piperidin-4-ylamino)-1-(1,3-thiazol-2-yl)propane-1,2-diol
CID 68381783
3-(Piperidin-4-ylamino)-3-(1,3-thiazol-2-yl)propane-1,2-diol
CID 68381785
1-Piperidin-1-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 68381790
3-Piperidin-1-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 68381791

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (CID 74245068) is (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(Cc2nccs2)C[C@@H]1N1CCCCC1.
What is the InChIKey of (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is XXSPOBAJJBYWPL-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3OS/c17-12-9-15(10-13-14-4-7-18-13)8-11(12)16-5-2-1-3-6-16/h4,7,11-12,17H,1-3,5-6,8-10H2/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 267.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 74245068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).