4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine

C6H10N2OS — CID 12603867

IUPAC4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
SMILESCCSc1c(C)noc1N
InChIInChI=1S/C6H10N2OS/c1-3-10-5-4(2)8-9-6(5)7/h3,7H2,1-2H3
InChIKeyBMXKZSQUQDGPSL-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.68
Rot. Bonds2

About 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine

4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine (PubChem CID 12603867) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
PubChem CID12603867
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
SMILESCCSc1c(C)noc1N
InChIInChI=1S/C6H10N2OS/c1-3-10-5-4(2)8-9-6(5)7/h3,7H2,1-2H3
InChIKeyBMXKZSQUQDGPSL-UHFFFAOYSA-N
XLogP1.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine (CID 12603867) is 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine is CCSc1c(C)noc1N.
What is the InChIKey of 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine?
The InChIKey is BMXKZSQUQDGPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-10-5-4(2)8-9-6(5)7/h3,7H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine?
4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine has a molecular weight of 158.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 12603867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).