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

C12H14N2OS2 — CID 81261470

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc3c(s2)CCSC3)noc1N
InChIInChI=1S/C12H14N2OS2/c1-2-8-11(14-15-12(8)13)10-5-7-6-16-4-3-9(7)17-10/h5H,2-4,6,13H2,1H3
InChIKeyAKORMGUQEPITEX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.34
Rot. Bonds2

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

3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 81261470) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID81261470
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc3c(s2)CCSC3)noc1N
InChIInChI=1S/C12H14N2OS2/c1-2-8-11(14-15-12(8)13)10-5-7-6-16-4-3-9(7)17-10/h5H,2-4,6,13H2,1H3
InChIKeyAKORMGUQEPITEX-UHFFFAOYSA-N
XLogP3.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine (CID 81261470) is 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2cc3c(s2)CCSC3)noc1N.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is AKORMGUQEPITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-2-8-11(14-15-12(8)13)10-5-7-6-16-4-3-9(7)17-10/h5H,2-4,6,13H2,1H3.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine?
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 266.39 g/mol, XLogP of 3.34, 2 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)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 81261470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).