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

C24H23F3N6OS2 — CID 146315238

IUPAC5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C(F)(F)F)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C24H23F3N6OS2/c1-14(15-7-9-33(10-8-15)22-29-12-17(13-30-22)24(25,26)27)34-23-32-19-5-4-18(31-21(19)36-23)16-3-6-20(35-2)28-11-16/h3-6,11-15H,7-10H2,1-2H3
InChIKeyZQCMGEZBLBBLAD-UHFFFAOYSA-N
MW532.62 g/mol
LogP5.97
Rot. Bonds6

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

5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 146315238) has the molecular formula C24H23F3N6OS2 and a molecular weight of 532.62 g/mol. Its IUPAC name is 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-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-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID146315238
Molecular FormulaC24H23F3N6OS2
Molecular Weight532.62 g/mol
Exact Mass532.13
IUPAC Name5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C(F)(F)F)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C24H23F3N6OS2/c1-14(15-7-9-33(10-8-15)22-29-12-17(13-30-22)24(25,26)27)34-23-32-19-5-4-18(31-21(19)36-23)16-3-6-20(35-2)28-11-16/h3-6,11-15H,7-10H2,1-2H3
InChIKeyZQCMGEZBLBBLAD-UHFFFAOYSA-N
XLogP5.97
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 55.97
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-(trifluoromethyl)pyrimidin-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-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (CID 146315238) is 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-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-(trifluoromethyl)pyrimidin-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-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5ncc(C(F)(F)F)cn5)CC4)sc3n2)cn1.
What is the InChIKey of 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is ZQCMGEZBLBBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6OS2/c1-14(15-7-9-33(10-8-15)22-29-12-17(13-30-22)24(25,26)27)34-23-32-19-5-4-18(31-21(19)36-23)16-3-6-20(35-2)28-11-16/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
5-(6-methylsulfanyl-3-pyridinyl)-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 532.62 g/mol, XLogP of 5.97, 6 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-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 146315238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).