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

C23H19N3O3S — CID 108811389

IUPACN-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)oc2ccccc12
InChIInChI=1S/C23H19N3O3S/c1-14-16-9-5-6-10-18(16)29-20(14)21(27)25-23-24-17-11-12-26(13-19(17)30-23)22(28)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,24,25,27)
InChIKeyYDMCXOHWEZYUQY-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.65
Rot. Bonds3

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

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 108811389) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID108811389
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)oc2ccccc12
InChIInChI=1S/C23H19N3O3S/c1-14-16-9-5-6-10-18(16)29-20(14)21(27)25-23-24-17-11-12-26(13-19(17)30-23)22(28)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,24,25,27)
InChIKeyYDMCXOHWEZYUQY-UHFFFAOYSA-N
XLogP4.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 108725692
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108725741
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108725665
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methoxyethoxy)acetamide
CID 108725696
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,3-diphenylpropanamide
CID 108725786
(E)-N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108749924
N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-methylpropoxy)benzamide
CID 108725654
5-methyl-N-[5-(4-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530303
prop-2-enyl N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 108725715
methyl 4-[2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]benzoate
CID 90528278
N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526475

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 108811389) is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)oc2ccccc12.
What is the InChIKey of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YDMCXOHWEZYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-14-16-9-5-6-10-18(16)29-20(14)21(27)25-23-24-17-11-12-26(13-19(17)30-23)22(28)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,24,25,27).
What are the key properties of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108811389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).