N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide

C22H20N4O2S — CID 38231605

IUPACN-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)NCCNC(=O)c1ccccc1
InChIInChI=1S/C22H20N4O2S/c27-20(23-11-12-24-21(28)17-9-5-2-6-10-17)13-18-15-29-22-25-19(14-26(18)22)16-7-3-1-4-8-16/h1-10,14-15H,11-13H2,(H,23,27)(H,24,28)
InChIKeyQKWBKHPAQXQRLP-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.15
Rot. Bonds7

About N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide

N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide (PubChem CID 38231605) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
PubChem CID38231605
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)NCCNC(=O)c1ccccc1
InChIInChI=1S/C22H20N4O2S/c27-20(23-11-12-24-21(28)17-9-5-2-6-10-17)13-18-15-29-22-25-19(14-26(18)22)16-7-3-1-4-8-16/h1-10,14-15H,11-13H2,(H,23,27)(H,24,28)
InChIKeyQKWBKHPAQXQRLP-UHFFFAOYSA-N
XLogP3.15
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium
CID 7522370
4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
CID 121038565
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803389
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
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-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide (CID 38231605) is N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is QKWBKHPAQXQRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-20(23-11-12-24-21(28)17-9-5-2-6-10-17)13-18-15-29-22-25-19(14-26(18)22)16-7-3-1-4-8-16/h1-10,14-15H,11-13H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide?
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 404.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 38231605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).