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

C21H18N4O2S — CID 10644114

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C21H18N4O2S/c1-27-18-9-7-15(8-10-18)12-22-24-20(26)11-17-14-28-21-23-19(13-25(17)21)16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,24,26)/b22-12+
InChIKeyCDWUPSSRFRXLAD-WSDLNYQXSA-N
MW390.47 g/mol
LogP3.76
Rot. Bonds6

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

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 10644114) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID10644114
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C21H18N4O2S/c1-27-18-9-7-15(8-10-18)12-22-24-20(26)11-17-14-28-21-23-19(13-25(17)21)16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,24,26)/b22-12+
InChIKeyCDWUPSSRFRXLAD-WSDLNYQXSA-N
XLogP3.76
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 10812955
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 19194286
4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881635
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91640538
N-(5-acetamido-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147870
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188
N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 10644114) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is COc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is CDWUPSSRFRXLAD-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-18-9-7-15(8-10-18)12-22-24-20(26)11-17-14-28-21-23-19(13-25(17)21)16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,24,26)/b22-12+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 10644114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).