2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C11H15NOS3 — CID 13495739

IUPAC2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCSc1cc(SC)c(C2=NC(C)(C)CO2)s1
InChIInChI=1S/C11H15NOS3/c1-11(2)6-13-10(12-11)9-7(14-3)5-8(15-4)16-9/h5H,6H2,1-4H3
InChIKeyNHOAUFKAQRQRRO-UHFFFAOYSA-N
MW273.45 g/mol
LogP3.75
Rot. Bonds3

About 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 13495739) has the molecular formula C11H15NOS3 and a molecular weight of 273.45 g/mol. Its IUPAC name is 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID13495739
Molecular FormulaC11H15NOS3
Molecular Weight273.45 g/mol
Exact Mass273.03
IUPAC Name2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCSc1cc(SC)c(C2=NC(C)(C)CO2)s1
InChIInChI=1S/C11H15NOS3/c1-11(2)6-13-10(12-11)9-7(14-3)5-8(15-4)16-9/h5H,6H2,1-4H3
InChIKeyNHOAUFKAQRQRRO-UHFFFAOYSA-N
XLogP3.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 13495739) is 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CSc1cc(SC)c(C2=NC(C)(C)CO2)s1.
What is the InChIKey of 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NHOAUFKAQRQRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS3/c1-11(2)6-13-10(12-11)9-7(14-3)5-8(15-4)16-9/h5H,6H2,1-4H3.
What are the key properties of 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 273.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 13495739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).