methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate

C19H16N2O2S — CID 175242860

IUPACmethyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(NC=Cc3ccccc3)n2)s1
InChIInChI=1S/C19H16N2O2S/c1-23-19(22)17-11-10-16(24-17)15-8-5-9-18(21-15)20-13-12-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21)
InChIKeyPJYZYIOLNNOMDC-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.68
Rot. Bonds5

About methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate

methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 175242860) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
PubChem CID175242860
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Namemethyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(NC=Cc3ccccc3)n2)s1
InChIInChI=1S/C19H16N2O2S/c1-23-19(22)17-11-10-16(24-17)15-8-5-9-18(21-15)20-13-12-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21)
InChIKeyPJYZYIOLNNOMDC-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate (CID 175242860) is methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2cccc(NC=Cc3ccccc3)n2)s1.
What is the InChIKey of methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is PJYZYIOLNNOMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-19(22)17-11-10-16(24-17)15-8-5-9-18(21-15)20-13-12-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21).
What are the key properties of methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 175242860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).