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

C23H23ClN6OS2 — CID 131985242

IUPAC2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1ccc(-c2ccc3nc(O[C@@H](C)C4CCN(c5ncc(Cl)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C23H23ClN6OS2/c1-14(15-7-9-30(10-8-15)22-26-12-17(24)13-27-22)31-23-29-19-5-4-18(28-21(19)33-23)16-3-6-20(32-2)25-11-16/h3-6,11-15H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyAMFDTCGUHCEIPF-AWEZNQCLSA-N
MW499.07 g/mol
LogP5.60
Rot. Bonds6

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

2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131985242) has the molecular formula C23H23ClN6OS2 and a molecular weight of 499.07 g/mol. Its IUPAC name is 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID131985242
Molecular FormulaC23H23ClN6OS2
Molecular Weight499.07 g/mol
Exact Mass498.11
IUPAC Name2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1ccc(-c2ccc3nc(O[C@@H](C)C4CCN(c5ncc(Cl)cn5)CC4)sc3n2)cn1
InChIInChI=1S/C23H23ClN6OS2/c1-14(15-7-9-30(10-8-15)22-26-12-17(24)13-27-22)31-23-29-19-5-4-18(28-21(19)33-23)16-3-6-20(32-2)25-11-16/h3-6,11-15H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyAMFDTCGUHCEIPF-AWEZNQCLSA-N
XLogP5.60
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.07
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
CID 131998369
5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 131985248
5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223418
3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985337
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985190
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 131984580
5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;(4-methylsulfonylphenyl)boronic acid;5-(4-methylsulfonylphenyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 158471195
ethane;2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 145380286
propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985275
5-(4-methylsulfonylphenyl)-2-[1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 131985167
5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;trimethyl-(5-methylsulfanylpyrazin-2-yl)stannane
CID 161262894
5-[4-[1-[[5-(4-cyclopropylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985251

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine (CID 131985242) is 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine is CSc1ccc(-c2ccc3nc(O[C@@H](C)C4CCN(c5ncc(Cl)cn5)CC4)sc3n2)cn1.
What is the InChIKey of 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is AMFDTCGUHCEIPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23ClN6OS2/c1-14(15-7-9-30(10-8-15)22-26-12-17(24)13-27-22)31-23-29-19-5-4-18(28-21(19)33-23)16-3-6-20(32-2)25-11-16/h3-6,11-15H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?
2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 499.07 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131985242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).