1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol

C7H10N2OS — CID 82412374

IUPAC1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol
SMILESOC1CN(Cc2ccns2)C1
InChIInChI=1S/C7H10N2OS/c10-6-3-9(4-6)5-7-1-2-8-11-7/h1-2,6,10H,3-5H2
InChIKeyQNKJECGMMKKCKK-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.32
Rot. Bonds2

About 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol

1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol (PubChem CID 82412374) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol
PubChem CID82412374
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol
SMILESOC1CN(Cc2ccns2)C1
InChIInChI=1S/C7H10N2OS/c10-6-3-9(4-6)5-7-1-2-8-11-7/h1-2,6,10H,3-5H2
InChIKeyQNKJECGMMKKCKK-UHFFFAOYSA-N
XLogP0.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
CID 105407824
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
5-[[3a-(2-phenylethyl)-2-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-thiazole
CID 137338520
1-[(6-bromo-2-pyridinyl)methyl]azetidin-3-ol
CID 130604174
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol?
The IUPAC name of 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol (CID 82412374) is 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol?
The canonical SMILES for 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol is OC1CN(Cc2ccns2)C1.
What is the InChIKey of 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol?
The InChIKey is QNKJECGMMKKCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-6-3-9(4-6)5-7-1-2-8-11-7/h1-2,6,10H,3-5H2.
What are the key properties of 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol?
1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol has a molecular weight of 170.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-ylmethyl)azetidin-3-ol is sourced from PubChem (CID 82412374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).