5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine

C11H12ClN3OS — CID 106925526

IUPAC5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2ncco2)n1
InChIInChI=1S/C11H12ClN3OS/c1-2-13-10-4-3-8(12)9(15-10)7-17-11-14-5-6-16-11/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyGWIQXCQKFGAXGU-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.45
Rot. Bonds5

About 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine

5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 106925526) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID106925526
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2ncco2)n1
InChIInChI=1S/C11H12ClN3OS/c1-2-13-10-4-3-8(12)9(15-10)7-17-11-14-5-6-16-11/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyGWIQXCQKFGAXGU-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine (CID 106925526) is 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine is CCNc1ccc(Cl)c(CSc2ncco2)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is GWIQXCQKFGAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-2-13-10-4-3-8(12)9(15-10)7-17-11-14-5-6-16-11/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine?
5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 269.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 106925526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).