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

C10H16N2OS — CID 64866462

IUPAC[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCc2cscn2)C1
InChIInChI=1S/C10H16N2OS/c13-6-9-1-3-12(5-9)4-2-10-7-14-8-11-10/h7-9,13H,1-6H2
InChIKeyTVGLTHWGNXMFKO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.00
Rot. Bonds4

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

[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 64866462) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID64866462
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCc2cscn2)C1
InChIInChI=1S/C10H16N2OS/c13-6-9-1-3-12(5-9)4-2-10-7-14-8-11-10/h7-9,13H,1-6H2
InChIKeyTVGLTHWGNXMFKO-UHFFFAOYSA-N
XLogP1.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
4-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64950407
1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one
CID 63829576
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
[4-(1,3-thiazol-4-ylmethyl)morpholin-2-yl]methanol
CID 79833284
4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 171913174
4-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 63824117
4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
CID 63824639
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
CID 44591284
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol (CID 64866462) is [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCc2cscn2)C1.
What is the InChIKey of [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is TVGLTHWGNXMFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-6-9-1-3-12(5-9)4-2-10-7-14-8-11-10/h7-9,13H,1-6H2.
What are the key properties of [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 212.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64866462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).