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

C22H23N5O4S2 — CID 55520160

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)cc2)n1
InChIInChI=1S/C22H23N5O4S2/c1-13(28)16-12-32-21(24-16)25-19(30)14-5-7-15(8-6-14)23-18(29)11-17-20(31)26-22(33-17)27-9-3-2-4-10-27/h5-8,12,17H,2-4,9-11H2,1H3,(H,23,29)(H,24,25,30)
InChIKeyPBRKMYBMRYCUOW-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.41
Rot. Bonds6

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

N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 55520160) has the molecular formula C22H23N5O4S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID55520160
Molecular FormulaC22H23N5O4S2
Molecular Weight485.59 g/mol
Exact Mass485.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)cc2)n1
InChIInChI=1S/C22H23N5O4S2/c1-13(28)16-12-32-21(24-16)25-19(30)14-5-7-15(8-6-14)23-18(29)11-17-20(31)26-22(33-17)27-9-3-2-4-10-27/h5-8,12,17H,2-4,9-11H2,1H3,(H,23,29)(H,24,25,30)
InChIKeyPBRKMYBMRYCUOW-UHFFFAOYSA-N
XLogP3.41
TPSA120.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
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
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 41061532
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
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
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 41202358
N-(3-chloro-2-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46636062

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of 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) is N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CC(=O)c1csc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)cc2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is PBRKMYBMRYCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S2/c1-13(28)16-12-32-21(24-16)25-19(30)14-5-7-15(8-6-14)23-18(29)11-17-20(31)26-22(33-17)27-9-3-2-4-10-27/h5-8,12,17H,2-4,9-11H2,1H3,(H,23,29)(H,24,25,30).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 485.59 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55520160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).