[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol

C15H19N3OS2 — CID 162662586

IUPAC[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol
SMILESCSc1cc(C(O)c2ccc(N(C)C)nc2)cc(SC)n1
InChIInChI=1S/C15H19N3OS2/c1-18(2)12-6-5-10(9-16-12)15(19)11-7-13(20-3)17-14(8-11)21-4/h5-9,15,19H,1-4H3
InChIKeyBSFWXIJAUJXRNF-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.07
Rot. Bonds5

About [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol

[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol (PubChem CID 162662586) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol
PubChem CID162662586
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol
SMILESCSc1cc(C(O)c2ccc(N(C)C)nc2)cc(SC)n1
InChIInChI=1S/C15H19N3OS2/c1-18(2)12-6-5-10(9-16-12)15(19)11-7-13(20-3)17-14(8-11)21-4/h5-9,15,19H,1-4H3
InChIKeyBSFWXIJAUJXRNF-UHFFFAOYSA-N
XLogP3.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol?
The IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol (CID 162662586) is [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol?
The canonical SMILES for [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol is CSc1cc(C(O)c2ccc(N(C)C)nc2)cc(SC)n1.
What is the InChIKey of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol?
The InChIKey is BSFWXIJAUJXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-18(2)12-6-5-10(9-16-12)15(19)11-7-13(20-3)17-14(8-11)21-4/h5-9,15,19H,1-4H3.
What are the key properties of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol?
[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol has a molecular weight of 321.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 162662586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).