N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

C11H17N3O3S — CID 66210767

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C11H17N3O3S/c12-7-5-2-1-3-17-9(5)8(7)14-10(15)6-4-18-11(16)13-6/h5-9H,1-4,12H2,(H,13,16)(H,14,15)
InChIKeyLWBDKDCMMFXAHI-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.57
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 66210767) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID66210767
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C11H17N3O3S/c12-7-5-2-1-3-17-9(5)8(7)14-10(15)6-4-18-11(16)13-6/h5-9H,1-4,12H2,(H,13,16)(H,14,15)
InChIKeyLWBDKDCMMFXAHI-UHFFFAOYSA-N
XLogP-0.57
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 66210767) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is NC1C2CCCOC2C1NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is LWBDKDCMMFXAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-7-5-2-1-3-17-9(5)8(7)14-10(15)6-4-18-11(16)13-6/h5-9H,1-4,12H2,(H,13,16)(H,14,15).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 271.34 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 66210767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).