N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine

C15H15N3OS — CID 106925507

IUPACN-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSc1ncco1
InChIInChI=1S/C15H15N3OS/c1-2-16-14-12(10-20-15-17-7-8-19-15)9-11-5-3-4-6-13(11)18-14/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyCCCCQOGSCQNACB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.95
Rot. Bonds5

About N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine

N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 106925507) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID106925507
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSc1ncco1
InChIInChI=1S/C15H15N3OS/c1-2-16-14-12(10-20-15-17-7-8-19-15)9-11-5-3-4-6-13(11)18-14/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyCCCCQOGSCQNACB-UHFFFAOYSA-N
XLogP3.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine (CID 106925507) is N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine is CCNc1nc2ccccc2cc1CSc1ncco1.
What is the InChIKey of N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is CCCCQOGSCQNACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-16-14-12(10-20-15-17-7-8-19-15)9-11-5-3-4-6-13(11)18-14/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 106925507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).