ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate

C16H15N3O3S — CID 4108741

IUPACethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cn3ccccc3n2)cc1C
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)14-10(2)8-13(23-14)18-15(20)11-9-19-7-5-4-6-12(19)17-11/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyTVVMSKJCLHNNGG-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.13
Rot. Bonds4

About ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate

ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 4108741) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID4108741
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cn3ccccc3n2)cc1C
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)14-10(2)8-13(23-14)18-15(20)11-9-19-7-5-4-6-12(19)17-11/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyTVVMSKJCLHNNGG-UHFFFAOYSA-N
XLogP3.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate (CID 4108741) is ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2cn3ccccc3n2)cc1C.
What is the InChIKey of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is TVVMSKJCLHNNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-16(21)14-10(2)8-13(23-14)18-15(20)11-9-19-7-5-4-6-12(19)17-11/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 4108741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).