ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole

C13H20N2OS — CID 177006502

IUPACethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole
SMILESC=Cc1nccs1.CC.CC(C)c1ccon1
InChIInChI=1S/C6H9NO.C5H5NS.C2H6/c1-5(2)6-3-4-8-7-6;1-2-5-6-3-4-7-5;1-2/h3-5H,1-2H3;2-4H,1H2;1-2H3
InChIKeyQEHJGJYGCLGKBQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.61
Rot. Bonds2

About ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole

ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole (PubChem CID 177006502) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Nameethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole
PubChem CID177006502
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Nameethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole
SMILESC=Cc1nccs1.CC.CC(C)c1ccon1
InChIInChI=1S/C6H9NO.C5H5NS.C2H6/c1-5(2)6-3-4-8-7-6;1-2-5-6-3-4-7-5;1-2/h3-5H,1-2H3;2-4H,1H2;1-2H3
InChIKeyQEHJGJYGCLGKBQ-UHFFFAOYSA-N
XLogP4.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole?
The IUPAC name of ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole (CID 177006502) is ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole?
The canonical SMILES for ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole is C=Cc1nccs1.CC.CC(C)c1ccon1.
What is the InChIKey of ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole?
The InChIKey is QEHJGJYGCLGKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H5NS.C2H6/c1-5(2)6-3-4-8-7-6;1-2-5-6-3-4-7-5;1-2/h3-5H,1-2H3;2-4H,1H2;1-2H3.
What are the key properties of ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole?
ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole has a molecular weight of 252.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 177006502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).