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

C20H15BrN4O2S — CID 135540939

IUPAC2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccccc1O
InChIInChI=1S/C20H15BrN4O2S/c21-15-7-5-13(6-8-15)17-11-25-16(12-28-20(25)23-17)9-19(27)24-22-10-14-3-1-2-4-18(14)26/h1-8,10-12,26H,9H2,(H,24,27)/b22-10+
InChIKeyPPYOMIZROUIMHR-LSHDLFTRSA-N
MW455.34 g/mol
LogP4.22
Rot. Bonds5

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

2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135540939) has the molecular formula C20H15BrN4O2S and a molecular weight of 455.34 g/mol. Its IUPAC name is 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135540939
Molecular FormulaC20H15BrN4O2S
Molecular Weight455.34 g/mol
Exact Mass454.01
IUPAC Name2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccccc1O
InChIInChI=1S/C20H15BrN4O2S/c21-15-7-5-13(6-8-15)17-11-25-16(12-28-20(25)23-17)9-19(27)24-22-10-14-3-1-2-4-18(14)26/h1-8,10-12,26H,9H2,(H,24,27)/b22-10+
InChIKeyPPYOMIZROUIMHR-LSHDLFTRSA-N
XLogP4.22
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2-(5-(o-tolylamino)imidazo[2,1-b]thiazol-6-yl)phenol
CID 15988946
[6-(4-Bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid 4-hidroksibenzilidenhidrazid
CID 135540940
[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxybenzylidenehydrazide
CID 135968290
N-[2-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]-2-oxoethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 145964069
[2-[[3-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 145964241
[2-[[3-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]-2-oxoethyl] 2-(2-hydroxyphenyl)acetate
CID 145976739
[6-(4-Bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid benzilidenhidrazid
CID 16126511
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]acetamide
CID 44426809
[6-(4-Bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 4-methoxybenylidenehydrazide
CID 16126469
[6-(4-Bromofenil)imidazo[2,1-b]tiyazol-3-il] asetik asid 4-bromobenzilidenhidrazid
CID 16126470
[6-(4-Bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid 4-florobenzilidenhidrazid
CID 16126513
N-[(E)-(2-methoxyphenyl)methyleneamino]-2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetamide
CID 9574870

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135540939) is 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is PPYOMIZROUIMHR-LSHDLFTRSA-N. The full InChI is InChI=1S/C20H15BrN4O2S/c21-15-7-5-13(6-8-15)17-11-25-16(12-28-20(25)23-17)9-19(27)24-22-10-14-3-1-2-4-18(14)26/h1-8,10-12,26H,9H2,(H,24,27)/b22-10+.
What are the key properties of 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 455.34 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135540939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).