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

C12H14N2OS2 — CID 81258238

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cc2c(s1)CCSC2
InChIInChI=1S/C12H14N2OS2/c1-2-8-11(15-14-12(8)13)10-5-7-6-16-4-3-9(7)17-10/h5H,2-4,6H2,1H3,(H2,13,14)
InChIKeyTVNLVZUWZUHZIU-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.34
Rot. Bonds2

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

5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 81258238) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID81258238
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cc2c(s1)CCSC2
InChIInChI=1S/C12H14N2OS2/c1-2-8-11(15-14-12(8)13)10-5-7-6-16-4-3-9(7)17-10/h5H,2-4,6H2,1H3,(H2,13,14)
InChIKeyTVNLVZUWZUHZIU-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

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine (CID 81258238) is 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1cc2c(s1)CCSC2.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is TVNLVZUWZUHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-2-8-11(15-14-12(8)13)10-5-7-6-16-4-3-9(7)17-10/h5H,2-4,6H2,1H3,(H2,13,14).
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine?
5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-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 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 81258238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).