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

C13H16N2OS2 — CID 81258392

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc2c(s1)CCSC2
InChIInChI=1S/C13H16N2OS2/c1-2-3-9-12(16-15-13(9)14)11-6-8-7-17-5-4-10(8)18-11/h6H,2-5,7H2,1H3,(H2,14,15)
InChIKeyMDZPUKSVMHIZSO-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.73
Rot. Bonds3

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

5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 81258392) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine
PubChem CID81258392
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc2c(s1)CCSC2
InChIInChI=1S/C13H16N2OS2/c1-2-3-9-12(16-15-13(9)14)11-6-8-7-17-5-4-10(8)18-11/h6H,2-5,7H2,1H3,(H2,14,15)
InChIKeyMDZPUKSVMHIZSO-UHFFFAOYSA-N
XLogP3.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.73
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-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine (CID 81258392) is 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc2c(s1)CCSC2.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is MDZPUKSVMHIZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-2-3-9-12(16-15-13(9)14)11-6-8-7-17-5-4-10(8)18-11/h6H,2-5,7H2,1H3,(H2,14,15).
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine?
5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.73, 3 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-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 81258392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).