N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

C27H25N5O2S — CID 84973048

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1
InChIInChI=1S/C27H25N5O2S/c1-32-14-11-23-24(17-32)35-27(30-23)31-26(34)22-4-2-3-18(15-22)16-29-25(33)21-7-5-19(6-8-21)20-9-12-28-13-10-20/h2-10,12-13,15H,11,14,16-17H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyBYSSCYBLIXTBMA-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.38
Rot. Bonds6

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (PubChem CID 84973048) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
PubChem CID84973048
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1
InChIInChI=1S/C27H25N5O2S/c1-32-14-11-23-24(17-32)35-27(30-23)31-26(34)22-4-2-3-18(15-22)16-29-25(33)21-7-5-19(6-8-21)20-9-12-28-13-10-20/h2-10,12-13,15H,11,14,16-17H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyBYSSCYBLIXTBMA-UHFFFAOYSA-N
XLogP4.38
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide with MolForge

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Related Compounds

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CID 10074640
Tak-715
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CID 22282339
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
2-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 4123718
N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
CID 4812517
4-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5002053
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]cyclohexanecarboxamide
CID 10158193
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (CID 84973048) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The InChIKey is BYSSCYBLIXTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-32-14-11-23-24(17-32)35-27(30-23)31-26(34)22-4-2-3-18(15-22)16-29-25(33)21-7-5-19(6-8-21)20-9-12-28-13-10-20/h2-10,12-13,15H,11,14,16-17H2,1H3,(H,29,33)(H,30,31,34).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide has a molecular weight of 483.60 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 84973048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).