(2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C29H30N4O6S — CID 17273266

IUPAC(2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESCCCNC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C#N)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H30N4O6S/c1-6-11-32-27(34)25-24(17-8-10-20(37-3)22(14-17)39-5)18(15-30)26(31)33-28(35)23(40-29(25)33)13-16-7-9-19(36-2)21(12-16)38-4/h7-10,12-14,24H,6,11,31H2,1-5H3,(H,32,34)/b23-13+
InChIKeyKEJJLIBYFXQYEX-YDZHTSKRSA-N
MW562.65 g/mol
LogP1.90
Rot. Bonds9

About (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

(2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273266) has the molecular formula C29H30N4O6S and a molecular weight of 562.65 g/mol. Its IUPAC name is (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name(2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID17273266
Molecular FormulaC29H30N4O6S
Molecular Weight562.65 g/mol
Exact Mass562.19
IUPAC Name(2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESCCCNC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C#N)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H30N4O6S/c1-6-11-32-27(34)25-24(17-8-10-20(37-3)22(14-17)39-5)18(15-30)26(31)33-28(35)23(40-29(25)33)13-16-7-9-19(36-2)21(12-16)38-4/h7-10,12-14,24H,6,11,31H2,1-5H3,(H,32,34)/b23-13+
InChIKeyKEJJLIBYFXQYEX-YDZHTSKRSA-N
XLogP1.90
TPSA137.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.65
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide with MolForge

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Related Compounds

(2E)-5-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 17273267
(2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 17273265
methyl 5-amino-6-cyano-7-(3-methoxy-4-propan-2-yloxyphenyl)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 3679366
2-[4-[(Z)-[(7S)-5-amino-7-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-6,8-dicyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 98229858
(2Z)-5-amino-6-cyano-N-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 17273162
(2Z,7S)-5-amino-7-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 99656238
methyl (2Z)-5-amino-6-(benzenesulfonyl)-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 6516370
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-6-cyano-7-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 3815982
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
7-(4-ethoxy-3-methoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 90953769
(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

Frequently Asked Questions

What is the IUPAC name of (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273266) is (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is CCCNC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C#N)C1c1ccc(OC)c(OC)c1.
What is the InChIKey of (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is KEJJLIBYFXQYEX-YDZHTSKRSA-N. The full InChI is InChI=1S/C29H30N4O6S/c1-6-11-32-27(34)25-24(17-8-10-20(37-3)22(14-17)39-5)18(15-30)26(31)33-28(35)23(40-29(25)33)13-16-7-9-19(36-2)21(12-16)38-4/h7-10,12-14,24H,6,11,31H2,1-5H3,(H,32,34)/b23-13+.
What are the key properties of (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
(2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 562.65 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).