(2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

C20H12N6OS — CID 1356501

IUPAC(2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
SMILESN#CC1=C(N)n2c(s/c(=C/c3ccncc3)c2=O)=C(C#N)[C@@H]1c1ccncc1
InChIInChI=1S/C20H12N6OS/c21-10-14-17(13-3-7-25-8-4-13)15(11-22)20-26(18(14)23)19(27)16(28-20)9-12-1-5-24-6-2-12/h1-9,17H,23H2/b16-9+/t17-/m1/s1
InChIKeySWOLGLRRWYBWSV-JDZKTDJGSA-N
MW384.42 g/mol
LogP0.65
Rot. Bonds2

About (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

(2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (PubChem CID 1356501) has the molecular formula C20H12N6OS and a molecular weight of 384.42 g/mol. Its IUPAC name is (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.

Molecular Properties

Compound Name(2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
PubChem CID1356501
Molecular FormulaC20H12N6OS
Molecular Weight384.42 g/mol
Exact Mass384.08
IUPAC Name(2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
SMILESN#CC1=C(N)n2c(s/c(=C/c3ccncc3)c2=O)=C(C#N)[C@@H]1c1ccncc1
InChIInChI=1S/C20H12N6OS/c21-10-14-17(13-3-7-25-8-4-13)15(11-22)20-26(18(14)23)19(27)16(28-20)9-12-1-5-24-6-2-12/h1-9,17H,23H2/b16-9+/t17-/m1/s1
InChIKeySWOLGLRRWYBWSV-JDZKTDJGSA-N
XLogP0.65
TPSA121.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile 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

(2Z,7S)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 1356497
methyl 5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 4221165
(2Z,7S)-5-amino-7-[4-(dimethylamino)phenyl]-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 1215608
(2E,7S)-5-amino-3-oxo-7-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 2067593
(2Z)-5-amino-3-oxo-7-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 6088093
(2Z)-5-amino-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 5342093
(7R)-5-amino-3-oxo-7-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 129442618
methyl (7R)-5-amino-6-cyano-7-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 129441081
ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
CID 3772907
ethyl 5-amino-8-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
CID 3241886
(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
(2Z,7S)-5-amino-7-[3-(2-methylpropoxy)phenyl]-2-[[3-(2-methylpropoxy)phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 42578261

Frequently Asked Questions

What is the IUPAC name of (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The IUPAC name of (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (CID 1356501) is (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
What is the SMILES notation for (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The canonical SMILES for (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is N#CC1=C(N)n2c(s/c(=C/c3ccncc3)c2=O)=C(C#N)[C@@H]1c1ccncc1.
What is the InChIKey of (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The InChIKey is SWOLGLRRWYBWSV-JDZKTDJGSA-N. The full InChI is InChI=1S/C20H12N6OS/c21-10-14-17(13-3-7-25-8-4-13)15(11-22)20-26(18(14)23)19(27)16(28-20)9-12-1-5-24-6-2-12/h1-9,17H,23H2/b16-9+/t17-/m1/s1.
What are the key properties of (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
(2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile has a molecular weight of 384.42 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7R)-5-amino-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is sourced from PubChem (CID 1356501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).