4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

C23H22N4O2S — CID 137462623

IUPAC4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)c3ccc(CN(C)C)cc3)nc12
InChIInChI=1S/C23H22N4O2S/c1-27(2)14-15-9-11-17(12-10-15)21(28)26-23-25-19-20(30-23)18(13-24-22(19)29-3)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,25,26,28)
InChIKeyIFRYTLJYEFHPQL-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.68
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (PubChem CID 137462623) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
PubChem CID137462623
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)c3ccc(CN(C)C)cc3)nc12
InChIInChI=1S/C23H22N4O2S/c1-27(2)14-15-9-11-17(12-10-15)21(28)26-23-25-19-20(30-23)18(13-24-22(19)29-3)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,25,26,28)
InChIKeyIFRYTLJYEFHPQL-UHFFFAOYSA-N
XLogP4.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462534
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide
CID 146653145
4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
CID 146624004
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
CID 146652560
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 142524457
3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 137474866
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 22283032
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide
CID 146653127
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(propylaminomethyl)benzamide;hydrochloride
CID 22283213

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (CID 137462623) is 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)c3ccc(CN(C)C)cc3)nc12.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The InChIKey is IFRYTLJYEFHPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-27(2)14-15-9-11-17(12-10-15)21(28)26-23-25-19-20(30-23)18(13-24-22(19)29-3)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,25,26,28).
What are the key properties of 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 137462623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).