4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C23H25N5O3S — CID 51470258

IUPAC4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccccn1
InChIInChI=1S/C23H25N5O3S/c1-15(18-6-2-3-11-24-18)25-21(30)16-7-9-17(10-8-16)26-20(29)14-19-22(31)27-23(32-19)28-12-4-5-13-28/h2-3,6-11,15,19H,4-5,12-14H2,1H3,(H,25,30)(H,26,29)/t15-,19+/m0/s1
InChIKeyYGLZZMYUWDWIGT-HNAYVOBHSA-N
MW451.55 g/mol
LogP2.99
Rot. Bonds6

About 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide

4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 51470258) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID51470258
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccccn1
InChIInChI=1S/C23H25N5O3S/c1-15(18-6-2-3-11-24-18)25-21(30)16-7-9-17(10-8-16)26-20(29)14-19-22(31)27-23(32-19)28-12-4-5-13-28/h2-3,6-11,15,19H,4-5,12-14H2,1H3,(H,25,30)(H,26,29)/t15-,19+/m0/s1
InChIKeyYGLZZMYUWDWIGT-HNAYVOBHSA-N
XLogP2.99
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-(2-methylsulfanylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55528966
4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
CID 56530406
2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-N-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]acetamide
CID 46650936
N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55647633
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N-(3-chloro-2-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46636062
N-(1-ethylbenzimidazol-2-yl)-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 39963579
[(1S)-1-cyanoethyl] 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 8600881
N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55520160
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 51470258) is 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccccn1.
What is the InChIKey of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is YGLZZMYUWDWIGT-HNAYVOBHSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-15(18-6-2-3-11-24-18)25-21(30)16-7-9-17(10-8-16)26-20(29)14-19-22(31)27-23(32-19)28-12-4-5-13-28/h2-3,6-11,15,19H,4-5,12-14H2,1H3,(H,25,30)(H,26,29)/t15-,19+/m0/s1.
What are the key properties of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 51470258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).