2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol

C9H14N2OS — CID 130935016

IUPAC2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc(C(O)CN2CCC2)sn1
InChIInChI=1S/C9H14N2OS/c1-7-5-9(13-10-7)8(12)6-11-3-2-4-11/h5,8,12H,2-4,6H2,1H3
InChIKeyWVICABHFFFUHLA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.19
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol

2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol (PubChem CID 130935016) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
PubChem CID130935016
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc(C(O)CN2CCC2)sn1
InChIInChI=1S/C9H14N2OS/c1-7-5-9(13-10-7)8(12)6-11-3-2-4-11/h5,8,12H,2-4,6H2,1H3
InChIKeyWVICABHFFFUHLA-UHFFFAOYSA-N
XLogP1.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol (CID 130935016) is 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol is Cc1cc(C(O)CN2CCC2)sn1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The InChIKey is WVICABHFFFUHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-5-9(13-10-7)8(12)6-11-3-2-4-11/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130935016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).