4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid

C11H15N3O4S — CID 66235387

IUPAC4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)Nc1nccs1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-14(8-6-18-5-7(8)10(16)17)4-9(15)13-11-12-2-3-19-11/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyFNELZWZQHOZVMA-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.11
Rot. Bonds5

About 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid

4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 66235387) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID66235387
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)Nc1nccs1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-14(8-6-18-5-7(8)10(16)17)4-9(15)13-11-12-2-3-19-11/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyFNELZWZQHOZVMA-UHFFFAOYSA-N
XLogP0.11
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
2-[furan-2-ylmethyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134048
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66237003
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66235178
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134036
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid (CID 66235387) is 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid is CN(CC(=O)Nc1nccs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is FNELZWZQHOZVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-14(8-6-18-5-7(8)10(16)17)4-9(15)13-11-12-2-3-19-11/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).