5-(thian-4-yl)-1,3-oxazol-2-amine

C8H12N2OS — CID 115016732

IUPAC5-(thian-4-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(C2CCSCC2)o1
InChIInChI=1S/C8H12N2OS/c9-8-10-5-7(11-8)6-1-3-12-4-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyJRXHEYWXOHKIRI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.87
Rot. Bonds1

About 5-(thian-4-yl)-1,3-oxazol-2-amine

5-(thian-4-yl)-1,3-oxazol-2-amine (PubChem CID 115016732) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(thian-4-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(thian-4-yl)-1,3-oxazol-2-amine
PubChem CID115016732
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-(thian-4-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(C2CCSCC2)o1
InChIInChI=1S/C8H12N2OS/c9-8-10-5-7(11-8)6-1-3-12-4-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyJRXHEYWXOHKIRI-UHFFFAOYSA-N
XLogP1.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(thian-4-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(thian-4-yl)-1,3-oxazol-2-amine (CID 115016732) is 5-(thian-4-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(thian-4-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(thian-4-yl)-1,3-oxazol-2-amine is Nc1ncc(C2CCSCC2)o1.
What is the InChIKey of 5-(thian-4-yl)-1,3-oxazol-2-amine?
The InChIKey is JRXHEYWXOHKIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-8-10-5-7(11-8)6-1-3-12-4-2-6/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 5-(thian-4-yl)-1,3-oxazol-2-amine?
5-(thian-4-yl)-1,3-oxazol-2-amine has a molecular weight of 184.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thian-4-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 115016732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).