2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile

C12H11N3OS — CID 103525443

IUPAC2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1coc(Sc2cc(C)nc(C)c2C#N)n1
InChIInChI=1S/C12H11N3OS/c1-7-4-11(10(5-13)9(3)14-7)17-12-15-8(2)6-16-12/h4,6H,1-3H3
InChIKeyXFAFEBZXVZLYTD-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.02
Rot. Bonds2

About 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile

2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 103525443) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID103525443
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1coc(Sc2cc(C)nc(C)c2C#N)n1
InChIInChI=1S/C12H11N3OS/c1-7-4-11(10(5-13)9(3)14-7)17-12-15-8(2)6-16-12/h4,6H,1-3H3
InChIKeyXFAFEBZXVZLYTD-UHFFFAOYSA-N
XLogP3.02
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
4-Methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103525453
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922395
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922838
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923415
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole
CID 106923443
[2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923740
4-Methyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363096
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 103520171
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 103525454
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 103525467

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 103525443) is 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile is Cc1coc(Sc2cc(C)nc(C)c2C#N)n1.
What is the InChIKey of 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is XFAFEBZXVZLYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7-4-11(10(5-13)9(3)14-7)17-12-15-8(2)6-16-12/h4,6H,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 103525443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).