[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine

C11H13N3OS — CID 106923724

IUPAC[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCc1coc(Sc2nccc(C)c2CN)n1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-13-10(9(7)5-12)16-11-14-8(2)6-15-11/h3-4,6H,5,12H2,1-2H3
InChIKeyXNIFYWRJAAXYQT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.30
Rot. Bonds3

About [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine

[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine (PubChem CID 106923724) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
PubChem CID106923724
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCc1coc(Sc2nccc(C)c2CN)n1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-13-10(9(7)5-12)16-11-14-8(2)6-15-11/h3-4,6H,5,12H2,1-2H3
InChIKeyXNIFYWRJAAXYQT-UHFFFAOYSA-N
XLogP2.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 106922418
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine
CID 114057327
[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
CID 106926916
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551522
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 106923721
[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928824
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 106923649

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The IUPAC name of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine (CID 106923724) is [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The canonical SMILES for [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine is Cc1coc(Sc2nccc(C)c2CN)n1.
What is the InChIKey of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The InChIKey is XNIFYWRJAAXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-13-10(9(7)5-12)16-11-14-8(2)6-15-11/h3-4,6H,5,12H2,1-2H3.
What are the key properties of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine has a molecular weight of 235.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 106923724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).