(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide

C16H13N3OS2 — CID 122162269

IUPAC(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H13N3OS2/c20-15(4-3-13-2-1-8-22-13)19-10-14-16(18-7-6-17-14)12-5-9-21-11-12/h1-9,11H,10H2,(H,19,20)/b4-3+
InChIKeyKBEBETMVYLSCSR-ONEGZZNKSA-N
MW327.43 g/mol
LogP3.60
Rot. Bonds5

About (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide

(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide (PubChem CID 122162269) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide
PubChem CID122162269
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H13N3OS2/c20-15(4-3-13-2-1-8-22-13)19-10-14-16(18-7-6-17-14)12-5-9-21-11-12/h1-9,11H,10H2,(H,19,20)/b4-3+
InChIKeyKBEBETMVYLSCSR-ONEGZZNKSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide (CID 122162269) is (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1cccs1)NCc1nccnc1-c1ccsc1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide?
The InChIKey is KBEBETMVYLSCSR-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-15(4-3-13-2-1-8-22-13)19-10-14-16(18-7-6-17-14)12-5-9-21-11-12/h1-9,11H,10H2,(H,19,20)/b4-3+.
What are the key properties of (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 122162269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).