5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide

C32H36ClN3O2S — CID 145112343

IUPAC5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n(-c2c(CC)cccc2CC)c1CC(C)C
InChIInChI=1S/C32H36ClN3O2S/c1-6-16-34-30(37)25-18-26(31-35-27(19-39-31)23-12-14-24(33)15-13-23)32(38)36(28(25)17-20(4)5)29-21(7-2)10-9-11-22(29)8-3/h9-15,18-20H,6-8,16-17H2,1-5H3,(H,34,37)
InChIKeyGOTDTWUKKAMRBA-UHFFFAOYSA-N
MW562.18 g/mol
LogP7.74
Rot. Bonds10

About 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide

5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide (PubChem CID 145112343) has the molecular formula C32H36ClN3O2S and a molecular weight of 562.18 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide
PubChem CID145112343
Molecular FormulaC32H36ClN3O2S
Molecular Weight562.18 g/mol
Exact Mass561.22
IUPAC Name5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n(-c2c(CC)cccc2CC)c1CC(C)C
InChIInChI=1S/C32H36ClN3O2S/c1-6-16-34-30(37)25-18-26(31-35-27(19-39-31)23-12-14-24(33)15-13-23)32(38)36(28(25)17-20(4)5)29-21(7-2)10-9-11-22(29)8-3/h9-15,18-20H,6-8,16-17H2,1-5H3,(H,34,37)
InChIKeyGOTDTWUKKAMRBA-UHFFFAOYSA-N
XLogP7.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.18
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(4R)-4-hydroxypentanoyl]-6-(2-methylpropyl)pyridin-2-one
CID 158845878
(2S)-2-amino-5-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-3-pyridinyl]-5-oxopentanoic acid
CID 160504319
(2S)-2-acetamido-5-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-3-pyridinyl]-5-oxopentanoic acid
CID 161279355
4-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxopyridine-3-carbonyl]piperazin-2-one;formic acid
CID 145112303
(3S)-1-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxopyridine-3-carbonyl]-5-oxopiperidine-3-carboxylic acid
CID 160902326
4-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxopyridine-3-carbonyl]-2-methylpiperazine-2-carboxylic acid
CID 145112307
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-6-oxopyridine-3-carboxylic acid
CID 121439545
1-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
CID 162155681
3-[4-(5-chloro-2-pyridinyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperazine-1-carbonyl)pyridin-2-one
CID 154976854
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-(piperazine-1-carbonyl)-6-propan-2-ylpyridin-2-one;methyl formate
CID 145112378
methyl (3R)-1-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-oxo-2-propan-2-ylpyridine-3-carbonyl]piperidine-3-carboxylate
CID 159429212
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-[2-(2-methylpropyl)piperidine-1-carbonyl]pyridin-2-one
CID 158307731

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide (CID 145112343) is 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n(-c2c(CC)cccc2CC)c1CC(C)C.
What is the InChIKey of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide?
The InChIKey is GOTDTWUKKAMRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O2S/c1-6-16-34-30(37)25-18-26(31-35-27(19-39-31)23-12-14-24(33)15-13-23)32(38)36(28(25)17-20(4)5)29-21(7-2)10-9-11-22(29)8-3/h9-15,18-20H,6-8,16-17H2,1-5H3,(H,34,37).
What are the key properties of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide?
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide has a molecular weight of 562.18 g/mol, XLogP of 7.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylpropyl)-6-oxo-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 145112343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).