3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

C24H27FN4O3S — CID 26001279

IUPAC3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)S1
InChIInChI=1S/C24H27FN4O3S/c1-4-29(5-2)24-27-22(31)20(33-24)14-21(30)26-19-11-7-9-17(13-19)23(32)28(3)15-16-8-6-10-18(25)12-16/h6-13,20H,4-5,14-15H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyUTKUWKCWAXWLQP-FQEVSTJZSA-N
MW470.57 g/mol
LogP3.77
Rot. Bonds8

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

3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 26001279) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID26001279
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)S1
InChIInChI=1S/C24H27FN4O3S/c1-4-29(5-2)24-27-22(31)20(33-24)14-21(30)26-19-11-7-9-17(13-19)23(32)28(3)15-16-8-6-10-18(25)12-16/h6-13,20H,4-5,14-15H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyUTKUWKCWAXWLQP-FQEVSTJZSA-N
XLogP3.77
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 39954547
2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 17424688
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-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24681303
[2-(cyclopentylamino)-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 42981105
N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26010248
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
N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
CID 54808952
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55454342

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (CID 26001279) is 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)S1.
What is the InChIKey of 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is UTKUWKCWAXWLQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-4-29(5-2)24-27-22(31)20(33-24)14-21(30)26-19-11-7-9-17(13-19)23(32)28(3)15-16-8-6-10-18(25)12-16/h6-13,20H,4-5,14-15H2,1-3H3,(H,26,30)/t20-/m0/s1.
What are the key properties of 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 470.57 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 26001279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).