[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine

C10H11N3OS — CID 106923649

IUPAC[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(Sc2ncco2)n1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-8(6-11)9(13-7)15-10-12-4-5-14-10/h2-5H,6,11H2,1H3
InChIKeyWJCPYNJGJLLVIB-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.99
Rot. Bonds3

About [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine

[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine (PubChem CID 106923649) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
PubChem CID106923649
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(Sc2ncco2)n1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-8(6-11)9(13-7)15-10-12-4-5-14-10/h2-5H,6,11H2,1H3
InChIKeyWJCPYNJGJLLVIB-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine (CID 106923649) is [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine is Cc1ccc(CN)c(Sc2ncco2)n1.
What is the InChIKey of [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The InChIKey is WJCPYNJGJLLVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-2-3-8(6-11)9(13-7)15-10-12-4-5-14-10/h2-5H,6,11H2,1H3.
What are the key properties of [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine has a molecular weight of 221.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 106923649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).