3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C11H15N3O4S — CID 64893085

IUPAC3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)c1nccs1
InChIInChI=1S/C11H15N3O4S/c1-7(8-12-3-5-19-8)13-10(17)14-11(9(15)16)2-4-18-6-11/h3,5,7H,2,4,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyOKIPHVSTKIRJIQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.75
Rot. Bonds4

About 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64893085) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64893085
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)c1nccs1
InChIInChI=1S/C11H15N3O4S/c1-7(8-12-3-5-19-8)13-10(17)14-11(9(15)16)2-4-18-6-11/h3,5,7H,2,4,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyOKIPHVSTKIRJIQ-UHFFFAOYSA-N
XLogP0.75
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 64893085) is 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCOC1)c1nccs1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is OKIPHVSTKIRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(8-12-3-5-19-8)13-10(17)14-11(9(15)16)2-4-18-6-11/h3,5,7H,2,4,6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64893085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).