5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine

C29H29FN4OS — CID 153383175

IUPAC5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1nc2c(C)cc(-c3cc(F)c4nc(C5CC(C)N(Cc6ccccc6)[C@H](C)C5)sc4c3)nc2o1
InChIInChI=1S/C29H29FN4OS/c1-16-10-24(32-28-26(16)31-19(4)35-28)21-13-23(30)27-25(14-21)36-29(33-27)22-11-17(2)34(18(3)12-22)15-20-8-6-5-7-9-20/h5-10,13-14,17-18,22H,11-12,15H2,1-4H3/t17-,18?,22?/m1/s1
InChIKeyYMCALYAHICLKMA-PDDLGQBUSA-N
MW500.64 g/mol
LogP7.41
Rot. Bonds4

About 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine

5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 153383175) has the molecular formula C29H29FN4OS and a molecular weight of 500.64 g/mol. Its IUPAC name is 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID153383175
Molecular FormulaC29H29FN4OS
Molecular Weight500.64 g/mol
Exact Mass500.20
IUPAC Name5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1nc2c(C)cc(-c3cc(F)c4nc(C5CC(C)N(Cc6ccccc6)[C@H](C)C5)sc4c3)nc2o1
InChIInChI=1S/C29H29FN4OS/c1-16-10-24(32-28-26(16)31-19(4)35-28)21-13-23(30)27-25(14-21)36-29(33-27)22-11-17(2)34(18(3)12-22)15-20-8-6-5-7-9-20/h5-10,13-14,17-18,22H,11-12,15H2,1-4H3/t17-,18?,22?/m1/s1
InChIKeyYMCALYAHICLKMA-PDDLGQBUSA-N
XLogP7.41
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine (CID 153383175) is 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine is Cc1nc2c(C)cc(-c3cc(F)c4nc(C5CC(C)N(Cc6ccccc6)[C@H](C)C5)sc4c3)nc2o1.
What is the InChIKey of 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is YMCALYAHICLKMA-PDDLGQBUSA-N. The full InChI is InChI=1S/C29H29FN4OS/c1-16-10-24(32-28-26(16)31-19(4)35-28)21-13-23(30)27-25(14-21)36-29(33-27)22-11-17(2)34(18(3)12-22)15-20-8-6-5-7-9-20/h5-10,13-14,17-18,22H,11-12,15H2,1-4H3/t17-,18?,22?/m1/s1.
What are the key properties of 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 500.64 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 153383175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).