5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one

C7H8N2O2S — CID 582149

IUPAC5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one
SMILESNc1nc(C2CCC(=O)O2)cs1
InChIInChI=1S/C7H8N2O2S/c8-7-9-4(3-12-7)5-1-2-6(10)11-5/h3,5H,1-2H2,(H2,8,9)
InChIKeyUSJWFSHCKJEMBK-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.10
Rot. Bonds1

About 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one

5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one (PubChem CID 582149) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one
PubChem CID582149
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one
SMILESNc1nc(C2CCC(=O)O2)cs1
InChIInChI=1S/C7H8N2O2S/c8-7-9-4(3-12-7)5-1-2-6(10)11-5/h3,5H,1-2H2,(H2,8,9)
InChIKeyUSJWFSHCKJEMBK-UHFFFAOYSA-N
XLogP1.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one (CID 582149) is 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one is Nc1nc(C2CCC(=O)O2)cs1.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one?
The InChIKey is USJWFSHCKJEMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-7-9-4(3-12-7)5-1-2-6(10)11-5/h3,5H,1-2H2,(H2,8,9).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one?
5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one has a molecular weight of 184.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)oxolan-2-one is sourced from PubChem (CID 582149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).