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

C9H15N3OS — CID 126981102

IUPAC[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1nc(CN2CCCC2CO)cs1
InChIInChI=1S/C9H15N3OS/c10-9-11-7(6-14-9)4-12-3-1-2-8(12)5-13/h6,8,13H,1-5H2,(H2,10,11)
InChIKeyTUFJVGHDUWETBV-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.68
Rot. Bonds3

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

[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 126981102) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID126981102
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1nc(CN2CCCC2CO)cs1
InChIInChI=1S/C9H15N3OS/c10-9-11-7(6-14-9)4-12-3-1-2-8(12)5-13/h6,8,13H,1-5H2,(H2,10,11)
InChIKeyTUFJVGHDUWETBV-UHFFFAOYSA-N
XLogP0.68
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
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
[1-[(5-aminopyrazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103056039
[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753130
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
2-(2-amino-1,3-thiazol-4-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634520
3-[1-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 111487689
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484662

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 126981102) is [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol is Nc1nc(CN2CCCC2CO)cs1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is TUFJVGHDUWETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-9-11-7(6-14-9)4-12-3-1-2-8(12)5-13/h6,8,13H,1-5H2,(H2,10,11).
What are the key properties of [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 213.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 126981102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).