[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol

C13H16N2OS2 — CID 62734410

IUPAC[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H16N2OS2/c16-7-12-2-1-4-15(12)6-11-9-18-13(14-11)10-3-5-17-8-10/h3,5,8-9,12,16H,1-2,4,6-7H2/t12-/m1/s1
InChIKeyHVXKEHCVRQFMNH-GFCCVEGCSA-N
MW280.42 g/mol
LogP2.83
Rot. Bonds4

About [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62734410) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62734410
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H16N2OS2/c16-7-12-2-1-4-15(12)6-11-9-18-13(14-11)10-3-5-17-8-10/h3,5,8-9,12,16H,1-2,4,6-7H2/t12-/m1/s1
InChIKeyHVXKEHCVRQFMNH-GFCCVEGCSA-N
XLogP2.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 164632402
[(2S,3R)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 138038005
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753130
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53498925
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 62734410) is [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1csc(-c2ccsc2)n1.
What is the InChIKey of [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is HVXKEHCVRQFMNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2OS2/c16-7-12-2-1-4-15(12)6-11-9-18-13(14-11)10-3-5-17-8-10/h3,5,8-9,12,16H,1-2,4,6-7H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 280.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62734410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).