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

C23H25N7O3S — CID 27848492

IUPAC3-[[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
SMILESCCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)NCc3nnc4ccccn34)c2)S1
InChIInChI=1S/C23H25N7O3S/c1-3-29(4-2)23-26-22(33)17(34-23)13-20(31)25-16-9-7-8-15(12-16)21(32)24-14-19-28-27-18-10-5-6-11-30(18)19/h5-12,17H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,31)/t17-/m1/s1
InChIKeyUCZDAHLDTMGAHX-QGZVFWFLSA-N
MW479.57 g/mol
LogP2.33
Rot. Bonds8

About 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

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 (PubChem CID 27848492) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID27848492
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name3-[[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
SMILESCCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)NCc3nnc4ccccn34)c2)S1
InChIInChI=1S/C23H25N7O3S/c1-3-29(4-2)23-26-22(33)17(34-23)13-20(31)25-16-9-7-8-15(12-16)21(32)24-14-19-28-27-18-10-5-6-11-30(18)19/h5-12,17H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,31)/t17-/m1/s1
InChIKeyUCZDAHLDTMGAHX-QGZVFWFLSA-N
XLogP2.33
TPSA121.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 4792172
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CID 27229194
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24681303
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 45354424
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
3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282806
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-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 26001279
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
[2-(cyclopentylamino)-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 42981105
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)NCc3nnc4ccccn34)c2)S1.
What is the InChIKey of 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?
The InChIKey is UCZDAHLDTMGAHX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-3-29(4-2)23-26-22(33)17(34-23)13-20(31)25-16-9-7-8-15(12-16)21(32)24-14-19-28-27-18-10-5-6-11-30(18)19/h5-12,17H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,31)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 479.57 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 27848492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).