(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C22H14Cl2N4O2S — CID 1386079

IUPAC(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(s/c(=C/c3ccccc3Cl)c2=O)=C(C(N)=O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C22H14Cl2N4O2S/c23-14-7-3-1-5-11(14)9-16-21(30)28-19(26)13(10-25)17(12-6-2-4-8-15(12)24)18(20(27)29)22(28)31-16/h1-9,17H,26H2,(H2,27,29)/b16-9+/t17-/m0/s1
InChIKeyBXVBIKHZKRUTPQ-NDCSFFLDSA-N
MW469.35 g/mol
LogP2.13
Rot. Bonds3

About (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 1386079) has the molecular formula C22H14Cl2N4O2S and a molecular weight of 469.35 g/mol. Its IUPAC name is (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID1386079
Molecular FormulaC22H14Cl2N4O2S
Molecular Weight469.35 g/mol
Exact Mass468.02
IUPAC Name(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(s/c(=C/c3ccccc3Cl)c2=O)=C(C(N)=O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C22H14Cl2N4O2S/c23-14-7-3-1-5-11(14)9-16-21(30)28-19(26)13(10-25)17(12-6-2-4-8-15(12)24)18(20(27)29)22(28)31-16/h1-9,17H,26H2,(H2,27,29)/b16-9+/t17-/m0/s1
InChIKeyBXVBIKHZKRUTPQ-NDCSFFLDSA-N
XLogP2.13
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide 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

methyl (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 5287003
5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 4268438
5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 3806267
(2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 17273177
5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 4042416
ethyl 5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-8-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
CID 3751278
(2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 17273042
methyl (7S)-5-amino-7-(2-bromophenyl)-2-[(2-bromophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 129442787
methyl (2E,7R)-5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 1215673
(2E)-5-amino-7-(4-chlorophenyl)-6-cyano-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 11561444
ethyl (2E,7R)-5-amino-6-cyano-7-(2-iodophenyl)-2-[(2-iodophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 40734986
ethyl (2Z)-5-amino-7-(2-chlorophenyl)-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane
CID 53277702

Frequently Asked Questions

What is the IUPAC name of (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 1386079) is (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)n2c(s/c(=C/c3ccccc3Cl)c2=O)=C(C(N)=O)[C@H]1c1ccccc1Cl.
What is the InChIKey of (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is BXVBIKHZKRUTPQ-NDCSFFLDSA-N. The full InChI is InChI=1S/C22H14Cl2N4O2S/c23-14-7-3-1-5-11(14)9-16-21(30)28-19(26)13(10-25)17(12-6-2-4-8-15(12)24)18(20(27)29)22(28)31-16/h1-9,17H,26H2,(H2,27,29)/b16-9+/t17-/m0/s1.
What are the key properties of (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 469.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 1386079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).