4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one

C7H10N2O2S — CID 103113154

IUPAC4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one
SMILESNC1COCC1c1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c8-5-2-11-1-4(5)6-3-12-7(10)9-6/h3-5H,1-2,8H2,(H,9,10)
InChIKeyXCGSXTBKECMBOZ-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.12
Rot. Bonds1

About 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one

4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 103113154) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one
PubChem CID103113154
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one
SMILESNC1COCC1c1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c8-5-2-11-1-4(5)6-3-12-7(10)9-6/h3-5H,1-2,8H2,(H,9,10)
InChIKeyXCGSXTBKECMBOZ-UHFFFAOYSA-N
XLogP-0.12
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-3-yl)-3H-1,3-thiazol-2-one
CID 104752232
4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381722

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one (CID 103113154) is 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one is NC1COCC1c1csc(=O)[nH]1.
What is the InChIKey of 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is XCGSXTBKECMBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-5-2-11-1-4(5)6-3-12-7(10)9-6/h3-5H,1-2,8H2,(H,9,10).
What are the key properties of 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one?
4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 186.24 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).