2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide

C12H17N3O3S — CID 123704167

IUPAC2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide
SMILESC=CCN1CC(CNC(=O)Cn2c(O)csc2=O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-3-14-5-9(6-14)4-13-10(16)7-15-11(17)8-19-12(15)18/h2,8-9,17H,1,3-7H2,(H,13,16)
InChIKeyWLUNUAIROZMBOB-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.15
Rot. Bonds6

About 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide

2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide (PubChem CID 123704167) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide
PubChem CID123704167
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide
SMILESC=CCN1CC(CNC(=O)Cn2c(O)csc2=O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-3-14-5-9(6-14)4-13-10(16)7-15-11(17)8-19-12(15)18/h2,8-9,17H,1,3-7H2,(H,13,16)
InChIKeyWLUNUAIROZMBOB-UHFFFAOYSA-N
XLogP-0.15
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
CID 123623147

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide (CID 123704167) is 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide is C=CCN1CC(CNC(=O)Cn2c(O)csc2=O)C1.
What is the InChIKey of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide?
The InChIKey is WLUNUAIROZMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-3-14-5-9(6-14)4-13-10(16)7-15-11(17)8-19-12(15)18/h2,8-9,17H,1,3-7H2,(H,13,16).
What are the key properties of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide?
2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide has a molecular weight of 283.35 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 123704167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).