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

C26H30N6OS2 — CID 145380357

IUPAC5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C(C)C)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C26H30N6OS2/c1-16(2)20-14-28-25(29-15-20)32-11-9-18(10-12-32)17(3)33-26-31-22-7-6-21(30-24(22)35-26)19-5-8-23(34-4)27-13-19/h5-8,13-18H,9-12H2,1-4H3
InChIKeyRJRHPLDMAOFXKV-UHFFFAOYSA-N
MW506.70 g/mol
LogP6.07
Rot. Bonds7

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

5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 145380357) has the molecular formula C26H30N6OS2 and a molecular weight of 506.70 g/mol. Its IUPAC name is 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID145380357
Molecular FormulaC26H30N6OS2
Molecular Weight506.70 g/mol
Exact Mass506.19
IUPAC Name5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C(C)C)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C26H30N6OS2/c1-16(2)20-14-28-25(29-15-20)32-11-9-18(10-12-32)17(3)33-26-31-22-7-6-21(30-24(22)35-26)19-5-8-23(34-4)27-13-19/h5-8,13-18H,9-12H2,1-4H3
InChIKeyRJRHPLDMAOFXKV-UHFFFAOYSA-N
XLogP6.07
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (CID 145380357) is 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C(C)C)cn5)CC4)sc3n2)cn1.
What is the InChIKey of 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is RJRHPLDMAOFXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6OS2/c1-16(2)20-14-28-25(29-15-20)32-11-9-18(10-12-32)17(3)33-26-31-22-7-6-21(30-24(22)35-26)19-5-8-23(34-4)27-13-19/h5-8,13-18H,9-12H2,1-4H3.
What are the key properties of 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 506.70 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 145380357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).