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

C11H15N3O3S — CID 123623147

IUPACN-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESC=CN1CC(CNC(=O)Cn2c(O)csc2=O)C1
InChIInChI=1S/C11H15N3O3S/c1-2-13-4-8(5-13)3-12-9(15)6-14-10(16)7-18-11(14)17/h2,7-8,16H,1,3-6H2,(H,12,15)
InChIKeyVKYHTEKWJHPNBC-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.19
Rot. Bonds5

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

N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 123623147) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID123623147
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESC=CN1CC(CNC(=O)Cn2c(O)csc2=O)C1
InChIInChI=1S/C11H15N3O3S/c1-2-13-4-8(5-13)3-12-9(15)6-14-10(16)7-18-11(14)17/h2,7-8,16H,1,3-6H2,(H,12,15)
InChIKeyVKYHTEKWJHPNBC-UHFFFAOYSA-N
XLogP-0.19
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-N-[(1-prop-2-enylazetidin-3-yl)methyl]acetamide
CID 123704167
2-(2-oxo-1,3-thiazol-3-yl)-N-propylacetamide
CID 115646854
N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646877
N-(cyclopropylmethyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115659282

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide (CID 123623147) is N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide is C=CN1CC(CNC(=O)Cn2c(O)csc2=O)C1.
What is the InChIKey of N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is VKYHTEKWJHPNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-13-4-8(5-13)3-12-9(15)6-14-10(16)7-18-11(14)17/h2,7-8,16H,1,3-6H2,(H,12,15).
What are the key properties of N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 269.33 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylazetidin-3-yl)methyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 123623147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).