(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

C23H19Cl2NO4S — CID 24937317

IUPAC(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSc2c(-c3ccccc3)c(CCCOc3ccc(Cl)cc3Cl)cc(=O)n21
InChIInChI=1S/C23H19Cl2NO4S/c24-16-8-9-19(17(25)12-16)30-10-4-7-15-11-20(27)26-18(23(28)29)13-31-22(26)21(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2,(H,28,29)/t18-/m0/s1
InChIKeyKCGKKGRPMOUTBD-SFHVURJKSA-N
MW476.38 g/mol
LogP5.57
Rot. Bonds7

About (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (PubChem CID 24937317) has the molecular formula C23H19Cl2NO4S and a molecular weight of 476.38 g/mol. Its IUPAC name is (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
PubChem CID24937317
Molecular FormulaC23H19Cl2NO4S
Molecular Weight476.38 g/mol
Exact Mass475.04
IUPAC Name(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSc2c(-c3ccccc3)c(CCCOc3ccc(Cl)cc3Cl)cc(=O)n21
InChIInChI=1S/C23H19Cl2NO4S/c24-16-8-9-19(17(25)12-16)30-10-4-7-15-11-20(27)26-18(23(28)29)13-31-22(26)21(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2,(H,28,29)/t18-/m0/s1
InChIKeyKCGKKGRPMOUTBD-SFHVURJKSA-N
XLogP5.57
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid 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

8-(3,4-difluorophenyl)-7-heptyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 69165011
(3R)-8-(4-bromophenyl)-5-oxo-7-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 101386511
8-cyclopropyl-7-[(4-ethoxynaphthalen-1-yl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 130298132
(2S)-1-[3-(2,4-dichlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365280
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one
CID 10949826
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
1-[4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 20544929
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The IUPAC name of (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (CID 24937317) is (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is O=C(O)[C@@H]1CSc2c(-c3ccccc3)c(CCCOc3ccc(Cl)cc3Cl)cc(=O)n21.
What is the InChIKey of (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The InChIKey is KCGKKGRPMOUTBD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19Cl2NO4S/c24-16-8-9-19(17(25)12-16)30-10-4-7-15-11-20(27)26-18(23(28)29)13-31-22(26)21(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2,(H,28,29)/t18-/m0/s1.
What are the key properties of (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid has a molecular weight of 476.38 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 24937317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).