N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C20H25N5O2S — CID 135588321

IUPACN-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCN(CC)Cc1cc(/C(C)=N/NC(=O)Cc2cn3ccsc3n2)ccc1O
InChIInChI=1S/C20H25N5O2S/c1-4-24(5-2)12-16-10-15(6-7-18(16)26)14(3)22-23-19(27)11-17-13-25-8-9-28-20(25)21-17/h6-10,13,26H,4-5,11-12H2,1-3H3,(H,23,27)/b22-14+
InChIKeyBQCUVQVOZFLSFL-HYARGMPZSA-N
MW399.52 g/mol
LogP3.03
Rot. Bonds8

About N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 135588321) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID135588321
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCN(CC)Cc1cc(/C(C)=N/NC(=O)Cc2cn3ccsc3n2)ccc1O
InChIInChI=1S/C20H25N5O2S/c1-4-24(5-2)12-16-10-15(6-7-18(16)26)14(3)22-23-19(27)11-17-13-25-8-9-28-20(25)21-17/h6-10,13,26H,4-5,11-12H2,1-3H3,(H,23,27)/b22-14+
InChIKeyBQCUVQVOZFLSFL-HYARGMPZSA-N
XLogP3.03
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6005008
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 5143876
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 4989244
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 6031444
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
CID 61012930
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4645789
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 60552370
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 23404768

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 135588321) is N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CCN(CC)Cc1cc(/C(C)=N/NC(=O)Cc2cn3ccsc3n2)ccc1O.
What is the InChIKey of N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is BQCUVQVOZFLSFL-HYARGMPZSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-4-24(5-2)12-16-10-15(6-7-18(16)26)14(3)22-23-19(27)11-17-13-25-8-9-28-20(25)21-17/h6-10,13,26H,4-5,11-12H2,1-3H3,(H,23,27)/b22-14+.
What are the key properties of N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 399.52 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 135588321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).