4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide

C24H22ClN5O3S — CID 121038565

IUPAC4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
InChIInChI=1S/C24H22ClN5O3S/c1-15(31)28-19-8-4-17(5-9-19)23(33)27-11-10-26-22(32)12-20-14-34-24-29-21(13-30(20)24)16-2-6-18(25)7-3-16/h2-9,13-14H,10-12H2,1H3,(H,26,32)(H,27,33)(H,28,31)
InChIKeyUZEAEPLHFZGTBN-UHFFFAOYSA-N
MW495.99 g/mol
LogP3.76
Rot. Bonds8

About 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide

4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide (PubChem CID 121038565) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
PubChem CID121038565
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC Name4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
InChIInChI=1S/C24H22ClN5O3S/c1-15(31)28-19-8-4-17(5-9-19)23(33)27-11-10-26-22(32)12-20-14-34-24-29-21(13-30(20)24)16-2-6-18(25)7-3-16/h2-9,13-14H,10-12H2,1H3,(H,26,32)(H,27,33)(H,28,31)
InChIKeyUZEAEPLHFZGTBN-UHFFFAOYSA-N
XLogP3.76
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121038566
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 7522346
2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl-dimethylazanium
CID 7522236
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
4-chloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506385
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
CID 121038538
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803389
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide (CID 121038565) is 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1.
What is the InChIKey of 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide?
The InChIKey is UZEAEPLHFZGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c1-15(31)28-19-8-4-17(5-9-19)23(33)27-11-10-26-22(32)12-20-14-34-24-29-21(13-30(20)24)16-2-6-18(25)7-3-16/h2-9,13-14H,10-12H2,1H3,(H,26,32)(H,27,33)(H,28,31).
What are the key properties of 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide?
4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide has a molecular weight of 495.99 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 121038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).