azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol

C9H14N2OS — CID 131071479

IUPACazetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol
SMILESCCc1cnc(C(O)C2CNC2)s1
InChIInChI=1S/C9H14N2OS/c1-2-7-5-11-9(13-7)8(12)6-3-10-4-6/h5-6,8,10,12H,2-4H2,1H3
InChIKeyVVIOQZLKKMIUMC-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds3

About azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol

azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol (PubChem CID 131071479) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Nameazetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol
PubChem CID131071479
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Nameazetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol
SMILESCCc1cnc(C(O)C2CNC2)s1
InChIInChI=1S/C9H14N2OS/c1-2-7-5-11-9(13-7)8(12)6-3-10-4-6/h5-6,8,10,12H,2-4H2,1H3
InChIKeyVVIOQZLKKMIUMC-UHFFFAOYSA-N
XLogP0.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 116680390
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 113387356
1-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 103158239
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627994
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103263831
(5-ethylthiophen-2-yl)-piperidin-3-ylmethanol
CID 43146513

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol (CID 131071479) is azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol is CCc1cnc(C(O)C2CNC2)s1.
What is the InChIKey of azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol?
The InChIKey is VVIOQZLKKMIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-7-5-11-9(13-7)8(12)6-3-10-4-6/h5-6,8,10,12H,2-4H2,1H3.
What are the key properties of azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol?
azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol has a molecular weight of 198.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 131071479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).