4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide

C23H26N4O5S — CID 137474724

IUPAC4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCOc1ncc(C2CCOCC2)c2sc(NC(=O)c3ccc(C(=O)N(C)CCO)cc3)nc12
InChIInChI=1S/C23H26N4O5S/c1-27(9-10-28)22(30)16-5-3-15(4-6-16)20(29)26-23-25-18-19(33-23)17(13-24-21(18)31-2)14-7-11-32-12-8-14/h3-6,13-14,28H,7-12H2,1-2H3,(H,25,26,29)
InChIKeyNZGJVUJAUWLYJS-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.91
Rot. Bonds7

About 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide

4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 137474724) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID137474724
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCOc1ncc(C2CCOCC2)c2sc(NC(=O)c3ccc(C(=O)N(C)CCO)cc3)nc12
InChIInChI=1S/C23H26N4O5S/c1-27(9-10-28)22(30)16-5-3-15(4-6-16)20(29)26-23-25-18-19(33-23)17(13-24-21(18)31-2)14-7-11-32-12-8-14/h3-6,13-14,28H,7-12H2,1-2H3,(H,25,26,29)
InChIKeyNZGJVUJAUWLYJS-UHFFFAOYSA-N
XLogP2.91
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
CID 146624004
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 137462545
2-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 22719561
3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(oxan-4-yl)urea
CID 11327203
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
CID 11257802
4-fluoro-N-[4-methoxy-7-[methyl(oxan-4-yl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 10173219
4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 22719581
4-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 22719560
4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 146653089
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide (CID 137474724) is 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide is COc1ncc(C2CCOCC2)c2sc(NC(=O)c3ccc(C(=O)N(C)CCO)cc3)nc12.
What is the InChIKey of 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is NZGJVUJAUWLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-27(9-10-28)22(30)16-5-3-15(4-6-16)20(29)26-23-25-18-19(33-23)17(13-24-21(18)31-2)14-7-11-32-12-8-14/h3-6,13-14,28H,7-12H2,1-2H3,(H,25,26,29).
What are the key properties of 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide?
4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-hydroxyethyl)-1-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 137474724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).