6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine

C15H14ClN3OS — CID 62886533

IUPAC6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2nc3ccccc3o2)n1
InChIInChI=1S/C15H14ClN3OS/c1-2-17-14-8-7-10(16)12(18-14)9-21-15-19-11-5-3-4-6-13(11)20-15/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyMJNQHARISOLWRK-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.60
Rot. Bonds5

About 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine

6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine (PubChem CID 62886533) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine
PubChem CID62886533
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2nc3ccccc3o2)n1
InChIInChI=1S/C15H14ClN3OS/c1-2-17-14-8-7-10(16)12(18-14)9-21-15-19-11-5-3-4-6-13(11)20-15/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyMJNQHARISOLWRK-UHFFFAOYSA-N
XLogP4.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine (CID 62886533) is 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CSc2nc3ccccc3o2)n1.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine?
The InChIKey is MJNQHARISOLWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-2-17-14-8-7-10(16)12(18-14)9-21-15-19-11-5-3-4-6-13(11)20-15/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine?
6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 62886533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).