N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide

C23H20N4OS — CID 16547092

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ccccc2n1
InChIInChI=1S/C23H20N4OS/c28-22(20-11-10-17-8-4-5-9-18(17)24-20)26-23-25-19-12-13-27(15-21(19)29-23)14-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,25,26,28)
InChIKeyFQJISQGAHYPEEC-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.50
Rot. Bonds4

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide (PubChem CID 16547092) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
PubChem CID16547092
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ccccc2n1
InChIInChI=1S/C23H20N4OS/c28-22(20-11-10-17-8-4-5-9-18(17)24-20)26-23-25-19-12-13-27(15-21(19)29-23)14-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,25,26,28)
InChIKeyFQJISQGAHYPEEC-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide
CID 35799271
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
CID 16547111
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773703
1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55756077
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-bromopyridine-3-carboxamide
CID 17390840
N-[2-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 17437177

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide (CID 16547092) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ccccc2n1.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide?
The InChIKey is FQJISQGAHYPEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c28-22(20-11-10-17-8-4-5-9-18(17)24-20)26-23-25-19-12-13-27(15-21(19)29-23)14-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,25,26,28).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 16547092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).