5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine

C20H24BrN5OS — CID 131985338

IUPAC5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCCc1cnc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)nc1
InChIInChI=1S/C20H24BrN5OS/c1-3-4-14-11-22-19(23-12-14)26-9-7-15(8-10-26)13(2)27-20-24-16-5-6-17(21)25-18(16)28-20/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyVCDCXTIOOYNFSA-UHFFFAOYSA-N
MW462.42 g/mol
LogP4.88
Rot. Bonds6

About 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine

5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131985338) has the molecular formula C20H24BrN5OS and a molecular weight of 462.42 g/mol. Its IUPAC name is 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID131985338
Molecular FormulaC20H24BrN5OS
Molecular Weight462.42 g/mol
Exact Mass461.09
IUPAC Name5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCCc1cnc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)nc1
InChIInChI=1S/C20H24BrN5OS/c1-3-4-14-11-22-19(23-12-14)26-9-7-15(8-10-26)13(2)27-20-24-16-5-6-17(21)25-18(16)28-20/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyVCDCXTIOOYNFSA-UHFFFAOYSA-N
XLogP4.88
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (CID 131985338) is 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is CCCc1cnc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)nc1.
What is the InChIKey of 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is VCDCXTIOOYNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5OS/c1-3-4-14-11-22-19(23-12-14)26-9-7-15(8-10-26)13(2)27-20-24-16-5-6-17(21)25-18(16)28-20/h5-6,11-13,15H,3-4,7-10H2,1-2H3.
What are the key properties of 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 462.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131985338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).