3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine

C10H10N2OS2 — CID 81261388

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3c(s2)CCSC3)no1
InChIInChI=1S/C10H10N2OS2/c11-10-4-7(12-13-10)9-3-6-5-14-2-1-8(6)15-9/h3-4H,1-2,5,11H2
InChIKeyAMOCYNQJGNNMRS-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.77
Rot. Bonds1

About 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine

3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine (PubChem CID 81261388) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine
PubChem CID81261388
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3c(s2)CCSC3)no1
InChIInChI=1S/C10H10N2OS2/c11-10-4-7(12-13-10)9-3-6-5-14-2-1-8(6)15-9/h3-4H,1-2,5,11H2
InChIKeyAMOCYNQJGNNMRS-UHFFFAOYSA-N
XLogP2.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine (CID 81261388) is 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine is Nc1cc(-c2cc3c(s2)CCSC3)no1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine?
The InChIKey is AMOCYNQJGNNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c11-10-4-7(12-13-10)9-3-6-5-14-2-1-8(6)15-9/h3-4H,1-2,5,11H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine?
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine has a molecular weight of 238.34 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81261388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).