(3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone

C10H12N2O2S — CID 59217966

IUPAC(3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone
SMILESC/C=C\c1nc(C(=O)N2CC(O)C2)cs1
InChIInChI=1S/C10H12N2O2S/c1-2-3-9-11-8(6-15-9)10(14)12-4-7(13)5-12/h2-3,6-7,13H,4-5H2,1H3/b3-2-
InChIKeyGBNJWKIHNJPLMH-IHWYPQMZSA-N
MW224.28 g/mol
LogP0.99
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone

(3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone (PubChem CID 59217966) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone
PubChem CID59217966
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone
SMILESC/C=C\c1nc(C(=O)N2CC(O)C2)cs1
InChIInChI=1S/C10H12N2O2S/c1-2-3-9-11-8(6-15-9)10(14)12-4-7(13)5-12/h2-3,6-7,13H,4-5H2,1H3/b3-2-
InChIKeyGBNJWKIHNJPLMH-IHWYPQMZSA-N
XLogP0.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone (CID 59217966) is (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone is C/C=C\c1nc(C(=O)N2CC(O)C2)cs1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is GBNJWKIHNJPLMH-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-3-9-11-8(6-15-9)10(14)12-4-7(13)5-12/h2-3,6-7,13H,4-5H2,1H3/b3-2-.
What are the key properties of (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone?
(3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 224.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[2-[(Z)-prop-1-enyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 59217966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).