5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

C8H12N2OS — CID 138744768

IUPAC5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILESCSc1nc2c(o1)CN(C)CC2
InChIInChI=1S/C8H12N2OS/c1-10-4-3-6-7(5-10)11-8(9-6)12-2/h3-5H2,1-2H3
InChIKeyHNCZVCSZYVTTPH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.38
Rot. Bonds1

About 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 138744768) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID138744768
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILESCSc1nc2c(o1)CN(C)CC2
InChIInChI=1S/C8H12N2OS/c1-10-4-3-6-7(5-10)11-8(9-6)12-2/h3-5H2,1-2H3
InChIKeyHNCZVCSZYVTTPH-UHFFFAOYSA-N
XLogP1.38
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (CID 138744768) is 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is CSc1nc2c(o1)CN(C)CC2.
What is the InChIKey of 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is HNCZVCSZYVTTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-4-3-6-7(5-10)11-8(9-6)12-2/h3-5H2,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 184.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 138744768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).