N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C20H15BrN4OS — CID 10812955

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4OS/c21-16-8-6-14(7-9-16)11-22-24-19(26)10-17-13-27-20-23-18(12-25(17)20)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,24,26)/b22-11+
InChIKeyFGQZULZSGRLBHU-SSDVNMTOSA-N
MW439.34 g/mol
LogP4.52
Rot. Bonds5

About N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 10812955) has the molecular formula C20H15BrN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID10812955
Molecular FormulaC20H15BrN4OS
Molecular Weight439.34 g/mol
Exact Mass438.01
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4OS/c21-16-8-6-14(7-9-16)11-22-24-19(26)10-17-13-27-20-23-18(12-25(17)20)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,24,26)/b22-11+
InChIKeyFGQZULZSGRLBHU-SSDVNMTOSA-N
XLogP4.52
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 10644114
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91640538
diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium
CID 7522370
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803389
2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865533
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112827742
N-(5-acetamido-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147870
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
CID 39161884

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 10812955) is N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is FGQZULZSGRLBHU-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H15BrN4OS/c21-16-8-6-14(7-9-16)11-22-24-19(26)10-17-13-27-20-23-18(12-25(17)20)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,24,26)/b22-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 439.34 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 10812955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).