ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate

C18H19N3O3S — CID 91268915

IUPACethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate
SMILESC=CC(CC)=Nc1nc(C(=O)OCC)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C18H19N3O3S/c1-4-13(5-2)19-18-20-14(17(23)24-6-3)16(25-18)21-15(22)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3,(H,21,22)
InChIKeyLAJFQISQYMHLMO-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.24
Rot. Bonds7

About ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate

ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate (PubChem CID 91268915) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate
PubChem CID91268915
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Nameethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate
SMILESC=CC(CC)=Nc1nc(C(=O)OCC)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C18H19N3O3S/c1-4-13(5-2)19-18-20-14(17(23)24-6-3)16(25-18)21-15(22)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3,(H,21,22)
InChIKeyLAJFQISQYMHLMO-UHFFFAOYSA-N
XLogP4.24
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-benzamido-1,3-thiazole-4-carboxylate
CID 102425607
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 994187
5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 174246138
ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
CID 82342569
ethyl 5-acetyl-2-benzamido-4-phenylthiophene-3-carboxylate
CID 1118697
ethyl 5-benzamido-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3639936
diethyl 3-benzamido-6-methylbenzene-1,2-dicarboxylate
CID 86070957
ethyl 2-benzamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2170543
ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate
CID 58334300
ethyl 2-benzamido-4-benzyl-5-phenylthiophene-3-carboxylate
CID 3119760

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate (CID 91268915) is ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate is C=CC(CC)=Nc1nc(C(=O)OCC)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate?
The InChIKey is LAJFQISQYMHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-13(5-2)19-18-20-14(17(23)24-6-3)16(25-18)21-15(22)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3,(H,21,22).
What are the key properties of ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate?
ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate has a molecular weight of 357.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 91268915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).