2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C24H23Cl2N3O2S — CID 11497360

IUPAC2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(Cl)cc3)nc2CCN1c1ccc(OCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C24H23Cl2N3O2S/c25-17-5-3-16(4-6-17)23-27-20-9-12-29(24(30)22(20)32-23)18-7-8-21(19(26)15-18)31-14-13-28-10-1-2-11-28/h3-8,15H,1-2,9-14H2
InChIKeyIAIBUBMMHHAHGC-UHFFFAOYSA-N
MW488.44 g/mol
LogP5.79
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 11497360) has the molecular formula C24H23Cl2N3O2S and a molecular weight of 488.44 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID11497360
Molecular FormulaC24H23Cl2N3O2S
Molecular Weight488.44 g/mol
Exact Mass487.09
IUPAC Name2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(Cl)cc3)nc2CCN1c1ccc(OCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C24H23Cl2N3O2S/c25-17-5-3-16(4-6-17)23-27-20-9-12-29(24(30)22(20)32-23)18-7-8-21(19(26)15-18)31-14-13-28-10-1-2-11-28/h3-8,15H,1-2,9-14H2
InChIKeyIAIBUBMMHHAHGC-UHFFFAOYSA-N
XLogP5.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one 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 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 11497360) is 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(-c3ccc(Cl)cc3)nc2CCN1c1ccc(OCCN2CCCC2)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is IAIBUBMMHHAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2S/c25-17-5-3-16(4-6-17)23-27-20-9-12-29(24(30)22(20)32-23)18-7-8-21(19(26)15-18)31-14-13-28-10-1-2-11-28/h3-8,15H,1-2,9-14H2.
What are the key properties of 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 488.44 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 11497360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).