methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C24H21NO5S — CID 50915362

IUPACmethyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3ccccc3OC)c(C=O)c(=O)n21
InChIInChI=1S/C24H21NO5S/c1-29-20-11-7-6-10-16(20)12-17-18(13-26)22(27)25-19(24(28)30-2)14-31-23(25)21(17)15-8-4-3-5-9-15/h3-11,13,19H,12,14H2,1-2H3/t19-/m0/s1
InChIKeyXZFIBBYGVCTYGY-IBGZPJMESA-N
MW435.50 g/mol
LogP3.75
Rot. Bonds6

About methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 50915362) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID50915362
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC Namemethyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3ccccc3OC)c(C=O)c(=O)n21
InChIInChI=1S/C24H21NO5S/c1-29-20-11-7-6-10-16(20)12-17-18(13-26)22(27)25-19(24(28)30-2)14-31-23(25)21(17)15-8-4-3-5-9-15/h3-11,13,19H,12,14H2,1-2H3/t19-/m0/s1
InChIKeyXZFIBBYGVCTYGY-IBGZPJMESA-N
XLogP3.75
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl (3R)-7-[(4-fluorophenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 50918042
(3R)-8-(3,4-difluorophenyl)-7-heptyl-3-methoxycarbonyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylic acid;methane
CID 143665197
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 121334207
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
(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
2-(3-methoxy-2-phenylphenyl)acetaldehyde
CID 88653150
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
methyl (16R)-20-cyclopropyl-14-oxo-10,18-dithia-12,15-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(13),2,4,6,8,11,19-heptaene-16-carboxylate
CID 122398285
(3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 121334198
methyl (3S)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758482

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 50915362) is methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is COC(=O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3ccccc3OC)c(C=O)c(=O)n21.
What is the InChIKey of methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is XZFIBBYGVCTYGY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21NO5S/c1-29-20-11-7-6-10-16(20)12-17-18(13-26)22(27)25-19(24(28)30-2)14-31-23(25)21(17)15-8-4-3-5-9-15/h3-11,13,19H,12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 435.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6-formyl-7-[(2-methoxyphenyl)methyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 50915362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).