3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide

C22H25N5O3S — CID 45354424

IUPAC3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCCN(CC)C1=NC(=O)C(CC(=O)Nc2cccc(C(=O)Nc3ccc(C)cn3)c2)S1
InChIInChI=1S/C22H25N5O3S/c1-4-27(5-2)22-26-21(30)17(31-22)12-19(28)24-16-8-6-7-15(11-16)20(29)25-18-10-9-14(3)13-23-18/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,28)(H,23,25,29)
InChIKeyXKPAFXIYVHSYIZ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.31
Rot. Bonds7

About 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide

3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 45354424) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID45354424
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCCN(CC)C1=NC(=O)C(CC(=O)Nc2cccc(C(=O)Nc3ccc(C)cn3)c2)S1
InChIInChI=1S/C22H25N5O3S/c1-4-27(5-2)22-26-21(30)17(31-22)12-19(28)24-16-8-6-7-15(11-16)20(29)25-18-10-9-14(3)13-23-18/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,28)(H,23,25,29)
InChIKeyXKPAFXIYVHSYIZ-UHFFFAOYSA-N
XLogP3.31
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[4-(diethylamino)phenyl]benzamide
CID 27229194
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 4792172
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24681303
3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 36780117
[2-(cyclopentylamino)-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 42981105
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41048262
3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848492
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 26001279
2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40879967
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 35344360
2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 17424688
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide (CID 45354424) is 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide is CCN(CC)C1=NC(=O)C(CC(=O)Nc2cccc(C(=O)Nc3ccc(C)cn3)c2)S1.
What is the InChIKey of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is XKPAFXIYVHSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-4-27(5-2)22-26-21(30)17(31-22)12-19(28)24-16-8-6-7-15(11-16)20(29)25-18-10-9-14(3)13-23-18/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,28)(H,23,25,29).
What are the key properties of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 45354424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).