N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C17H18N4O2S — CID 70651193

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)n2sc3ncccc3c2=O)cc1
InChIInChI=1S/C17H18N4O2S/c1-20(2)11-13-7-5-12(6-8-13)10-19-17(23)21-16(22)14-4-3-9-18-15(14)24-21/h3-9H,10-11H2,1-2H3,(H,19,23)
InChIKeyOJUJWPJNAURRHV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.28
Rot. Bonds4

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 70651193) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID70651193
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)n2sc3ncccc3c2=O)cc1
InChIInChI=1S/C17H18N4O2S/c1-20(2)11-13-7-5-12(6-8-13)10-19-17(23)21-16(22)14-4-3-9-18-15(14)24-21/h3-9H,10-11H2,1-2H3,(H,19,23)
InChIKeyOJUJWPJNAURRHV-UHFFFAOYSA-N
XLogP2.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide with MolForge

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Related Compounds

(N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)methyl)benzamide)
CID 126569528
Xg076
CID 5703
2-(4-(Trifluoromethyl)benzyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 53257845
N-{5-[(3-methylbutyl)carbamoyl]pyridin-2-yl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509986
2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one
CID 11127503
3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
CID 90654523
3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
CID 90654524
N-(4-Methylbenzyl)-2-(methylthio)nicotinamide
CID 2576591
2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 393169
2-Benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271649
2-(4-Methylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 13554995
N-{4-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]butyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509972

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 70651193) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is CN(C)Cc1ccc(CNC(=O)n2sc3ncccc3c2=O)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is OJUJWPJNAURRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-20(2)11-13-7-5-12(6-8-13)10-19-17(23)21-16(22)14-4-3-9-18-15(14)24-21/h3-9H,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 70651193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).