2-thianthren-1-yl-1,3-oxazole

C15H9NOS2 — CID 159693848

IUPAC2-thianthren-1-yl-1,3-oxazole
SMILESc1ccc2c(c1)Sc1cccc(-c3ncco3)c1S2
InChIInChI=1S/C15H9NOS2/c1-2-6-12-11(5-1)18-13-7-3-4-10(14(13)19-12)15-16-8-9-17-15/h1-9H
InChIKeyMWTDRYXJJMAQGN-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.96
Rot. Bonds1

About 2-thianthren-1-yl-1,3-oxazole

2-thianthren-1-yl-1,3-oxazole (PubChem CID 159693848) has the molecular formula C15H9NOS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-thianthren-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-thianthren-1-yl-1,3-oxazole
PubChem CID159693848
Molecular FormulaC15H9NOS2
Molecular Weight283.38 g/mol
Exact Mass283.01
IUPAC Name2-thianthren-1-yl-1,3-oxazole
SMILESc1ccc2c(c1)Sc1cccc(-c3ncco3)c1S2
InChIInChI=1S/C15H9NOS2/c1-2-6-12-11(5-1)18-13-7-3-4-10(14(13)19-12)15-16-8-9-17-15/h1-9H
InChIKeyMWTDRYXJJMAQGN-UHFFFAOYSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thianthren-1-yl-1,3-oxazole?
The IUPAC name of 2-thianthren-1-yl-1,3-oxazole (CID 159693848) is 2-thianthren-1-yl-1,3-oxazole.
What is the SMILES notation for 2-thianthren-1-yl-1,3-oxazole?
The canonical SMILES for 2-thianthren-1-yl-1,3-oxazole is c1ccc2c(c1)Sc1cccc(-c3ncco3)c1S2.
What is the InChIKey of 2-thianthren-1-yl-1,3-oxazole?
The InChIKey is MWTDRYXJJMAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NOS2/c1-2-6-12-11(5-1)18-13-7-3-4-10(14(13)19-12)15-16-8-9-17-15/h1-9H.
What are the key properties of 2-thianthren-1-yl-1,3-oxazole?
2-thianthren-1-yl-1,3-oxazole has a molecular weight of 283.38 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thianthren-1-yl-1,3-oxazole is sourced from PubChem (CID 159693848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).