(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

C14H17N3OS — CID 97408592

IUPAC(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccncc1
InChIInChI=1S/C14H17N3OS/c18-13-3-7-17(10-14-16-6-8-19-14)12(13)9-11-1-4-15-5-2-11/h1-2,4-6,8,12-13,18H,3,7,9-10H2/t12-,13+/m0/s1
InChIKeyYYOYZSUQHHDEPB-QWHCGFSZSA-N
MW275.38 g/mol
LogP1.72
Rot. Bonds4

About (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 97408592) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID97408592
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccncc1
InChIInChI=1S/C14H17N3OS/c18-13-3-7-17(10-14-16-6-8-19-14)12(13)9-11-1-4-15-5-2-11/h1-2,4-6,8,12-13,18H,3,7,9-10H2/t12-,13+/m0/s1
InChIKeyYYOYZSUQHHDEPB-QWHCGFSZSA-N
XLogP1.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97384361
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470361
(2S,3S)-1-[(4-methoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155860599
1-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155875837
cyclopropyl-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470356
(2S,3R)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 97392127
(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97384253
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 124814278
(7R)-7-(pyridin-4-ylmethoxy)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124911531
2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole
CID 69378769
1-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 97470784

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (CID 97408592) is (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccncc1.
What is the InChIKey of (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is YYOYZSUQHHDEPB-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13-3-7-17(10-14-16-6-8-19-14)12(13)9-11-1-4-15-5-2-11/h1-2,4-6,8,12-13,18H,3,7,9-10H2/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 275.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97408592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).