5-(thiolan-3-yl)-1,3-oxazol-2-amine

C7H10N2OS — CID 115013751

IUPAC5-(thiolan-3-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(C2CCSC2)o1
InChIInChI=1S/C7H10N2OS/c8-7-9-3-6(10-7)5-1-2-11-4-5/h3,5H,1-2,4H2,(H2,8,9)
InChIKeyGMQUTWOLESCSGH-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.48
Rot. Bonds1

About 5-(thiolan-3-yl)-1,3-oxazol-2-amine

5-(thiolan-3-yl)-1,3-oxazol-2-amine (PubChem CID 115013751) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-(thiolan-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(thiolan-3-yl)-1,3-oxazol-2-amine
PubChem CID115013751
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-(thiolan-3-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(C2CCSC2)o1
InChIInChI=1S/C7H10N2OS/c8-7-9-3-6(10-7)5-1-2-11-4-5/h3,5H,1-2,4H2,(H2,8,9)
InChIKeyGMQUTWOLESCSGH-UHFFFAOYSA-N
XLogP1.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(thiolan-3-yl)-1,3-oxazol-2-amine (CID 115013751) is 5-(thiolan-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(thiolan-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(thiolan-3-yl)-1,3-oxazol-2-amine is Nc1ncc(C2CCSC2)o1.
What is the InChIKey of 5-(thiolan-3-yl)-1,3-oxazol-2-amine?
The InChIKey is GMQUTWOLESCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c8-7-9-3-6(10-7)5-1-2-11-4-5/h3,5H,1-2,4H2,(H2,8,9).
What are the key properties of 5-(thiolan-3-yl)-1,3-oxazol-2-amine?
5-(thiolan-3-yl)-1,3-oxazol-2-amine has a molecular weight of 170.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 115013751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).