3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine

C12H15N3OS — CID 106925655

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CSc1nc(C)c(C)o1
InChIInChI=1S/C12H15N3OS/c1-8-9(2)16-12(15-8)17-7-10-5-4-6-14-11(10)13-3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCPWNSOHOPPVTRW-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.02
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 106925655) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID106925655
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CSc1nc(C)c(C)o1
InChIInChI=1S/C12H15N3OS/c1-8-9(2)16-12(15-8)17-7-10-5-4-6-14-11(10)13-3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCPWNSOHOPPVTRW-UHFFFAOYSA-N
XLogP3.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106926190
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106922275
N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468559
N-methyl-3-(propan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467144
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468212
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 63486421
N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468722
N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467120
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62467130
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-methylpyridin-2-amine
CID 115478990
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925657

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine (CID 106925655) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine is CNc1ncccc1CSc1nc(C)c(C)o1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is CPWNSOHOPPVTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-9(2)16-12(15-8)17-7-10-5-4-6-14-11(10)13-3/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 106925655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).