N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine

C12H15N3OS — CID 106926520

IUPACN-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Sc2ncco2)c(C)c1
InChIInChI=1S/C12H15N3OS/c1-3-13-7-10-6-9(2)11(15-8-10)17-12-14-4-5-16-12/h4-6,8,13H,3,7H2,1-2H3
InChIKeyCVYBFPHFMJHIJR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.64
Rot. Bonds5

About N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine

N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 106926520) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
PubChem CID106926520
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Sc2ncco2)c(C)c1
InChIInChI=1S/C12H15N3OS/c1-3-13-7-10-6-9(2)11(15-8-10)17-12-14-4-5-16-12/h4-6,8,13H,3,7H2,1-2H3
InChIKeyCVYBFPHFMJHIJR-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551
N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80651506
5-(ethylaminomethyl)-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 114063963
N-[[5-methyl-6-(4-nitrophenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628228
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
methyl 2-[[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]sulfanyl]acetate
CID 80639695
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 106926441
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 80640625
2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80640543
1-[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651010

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine (CID 106926520) is N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Sc2ncco2)c(C)c1.
What is the InChIKey of N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is CVYBFPHFMJHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-13-7-10-6-9(2)11(15-8-10)17-12-14-4-5-16-12/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106926520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).