ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate

C16H15N3O2S — CID 5061557

IUPACethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate
SMILESCCOC(=O)c1ccc(/C=N/Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-2-21-15(20)13-5-3-12(4-6-13)9-17-10-14-11-19-7-8-22-16(19)18-14/h3-9,11H,2,10H2,1H3/b17-9+
InChIKeyYUGNDWHHXFQRRG-RQZCQDPDSA-N
MW313.38 g/mol
LogP3.19
Rot. Bonds5

About ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate

ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate (PubChem CID 5061557) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate
PubChem CID5061557
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Nameethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate
SMILESCCOC(=O)c1ccc(/C=N/Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-2-21-15(20)13-5-3-12(4-6-13)9-17-10-14-11-19-7-8-22-16(19)18-14/h3-9,11H,2,10H2,1H3/b17-9+
InChIKeyYUGNDWHHXFQRRG-RQZCQDPDSA-N
XLogP3.19
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutanoic acid
CID 103974349
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
CID 105123048
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
N'-hydroxy-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331979
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 115332012
2-(4-ethylphenyl)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333010
2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine
CID 115334306
ethyl 2-[(2Z)-2-[(4-ethoxycarbonylphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 124748851

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate?
The IUPAC name of ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate (CID 5061557) is ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate.
What is the SMILES notation for ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate?
The canonical SMILES for ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate is CCOC(=O)c1ccc(/C=N/Cc2cn3ccsc3n2)cc1.
What is the InChIKey of ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate?
The InChIKey is YUGNDWHHXFQRRG-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-21-15(20)13-5-3-12(4-6-13)9-17-10-14-11-19-7-8-22-16(19)18-14/h3-9,11H,2,10H2,1H3/b17-9+.
What are the key properties of ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate?
ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate has a molecular weight of 313.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate is sourced from PubChem (CID 5061557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).