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

C13H22N2OS — CID 62040964

IUPAC[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)c1nc(CN2CCC[C@@H]2CO)cs1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)12-14-10(9-17-12)7-15-6-4-5-11(15)8-16/h9,11,16H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyZPZYYJOTDJKFDT-LLVKDONJSA-N
MW254.40 g/mol
LogP2.40
Rot. Bonds3

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

[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62040964) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62040964
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)c1nc(CN2CCC[C@@H]2CO)cs1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)12-14-10(9-17-12)7-15-6-4-5-11(15)8-16/h9,11,16H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyZPZYYJOTDJKFDT-LLVKDONJSA-N
XLogP2.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 43441270
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369310
2-tert-butyl-4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 38082765
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103866930
N-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111102159

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 62040964) is [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol is CC(C)(C)c1nc(CN2CCC[C@@H]2CO)cs1.
What is the InChIKey of [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZPZYYJOTDJKFDT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,3)12-14-10(9-17-12)7-15-6-4-5-11(15)8-16/h9,11,16H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62040964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).