ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine

C26H32N6OS2 — CID 145380266

IUPACethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C24H26N6OS2.C2H6/c1-15-12-26-23(27-13-15)30-10-8-17(9-11-30)16(2)31-24-29-20-6-5-19(28-22(20)33-24)18-4-7-21(32-3)25-14-18;1-2/h4-7,12-14,16-17H,8-11H2,1-3H3;1-2H3
InChIKeyINEAQNYUBNJTMZ-UHFFFAOYSA-N
MW508.72 g/mol
LogP6.28
Rot. Bonds6

About ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine

ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 145380266) has the molecular formula C26H32N6OS2 and a molecular weight of 508.72 g/mol. Its IUPAC name is ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID145380266
Molecular FormulaC26H32N6OS2
Molecular Weight508.72 g/mol
Exact Mass508.21
IUPAC Nameethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C24H26N6OS2.C2H6/c1-15-12-26-23(27-13-15)30-10-8-17(9-11-30)16(2)31-24-29-20-6-5-19(28-22(20)33-24)18-4-7-21(32-3)25-14-18;1-2/h4-7,12-14,16-17H,8-11H2,1-3H3;1-2H3
InChIKeyINEAQNYUBNJTMZ-UHFFFAOYSA-N
XLogP6.28
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.72
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine (CID 145380266) is ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine is CC.CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C)cn5)CC4)sc3n2)cn1.
What is the InChIKey of ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is INEAQNYUBNJTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS2.C2H6/c1-15-12-26-23(27-13-15)30-10-8-17(9-11-30)16(2)31-24-29-20-6-5-19(28-22(20)33-24)18-4-7-21(32-3)25-14-18;1-2/h4-7,12-14,16-17H,8-11H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 508.72 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 145380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).