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

C14H19N3OS — CID 106926551

IUPAC2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1Sc1ncco1
InChIInChI=1S/C14H19N3OS/c1-10-7-11(9-17-14(2,3)4)8-16-12(10)19-13-15-5-6-18-13/h5-8,17H,9H2,1-4H3
InChIKeyAIAQQWVYPZYQPD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.42
Rot. Bonds4

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

2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 106926551) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID106926551
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1Sc1ncco1
InChIInChI=1S/C14H19N3OS/c1-10-7-11(9-17-14(2,3)4)8-16-12(10)19-13-15-5-6-18-13/h5-8,17H,9H2,1-4H3
InChIKeyAIAQQWVYPZYQPD-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine (CID 106926551) is 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)cnc1Sc1ncco1.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is AIAQQWVYPZYQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-7-11(9-17-14(2,3)4)8-16-12(10)19-13-15-5-6-18-13/h5-8,17H,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106926551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).