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

C19H16N2O2S — CID 174490532

IUPACmethyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC=Cc3ccccc3)cn2)s1
InChIInChI=1S/C19H16N2O2S/c1-23-19(22)18-10-9-17(24-18)16-8-7-15(13-21-16)20-12-11-14-5-3-2-4-6-14/h2-13,20H,1H3
InChIKeyPCZXSMXBDWQFSH-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.68
Rot. Bonds5

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

methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 174490532) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
PubChem CID174490532
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Namemethyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC=Cc3ccccc3)cn2)s1
InChIInChI=1S/C19H16N2O2S/c1-23-19(22)18-10-9-17(24-18)16-8-7-15(13-21-16)20-12-11-14-5-3-2-4-6-14/h2-13,20H,1H3
InChIKeyPCZXSMXBDWQFSH-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-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate (CID 174490532) is methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(NC=Cc3ccccc3)cn2)s1.
What is the InChIKey of methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is PCZXSMXBDWQFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-19(22)18-10-9-17(24-18)16-8-7-15(13-21-16)20-12-11-14-5-3-2-4-6-14/h2-13,20H,1H3.
What are the key properties of methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[5-(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-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 174490532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).