ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide

C14H14N2OS2 — CID 143625473

IUPACethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide
SMILESC=C.[H]/N=C/C(=C(\C(N)=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C12H10N2OS2.C2H4/c13-5-10(8-1-3-16-6-8)11(12(14)15)9-2-4-17-7-9;1-2/h1-7,13H,(H2,14,15);1-2H2/b11-10+,13-5+;
InChIKeyPXNZGNCDDIEJKA-FAQOJWHUSA-N
MW290.41 g/mol
LogP3.66
Rot. Bonds4

About ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide

ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide (PubChem CID 143625473) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide.

Molecular Properties

Compound Nameethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide
PubChem CID143625473
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Nameethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide
SMILESC=C.[H]/N=C/C(=C(\C(N)=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C12H10N2OS2.C2H4/c13-5-10(8-1-3-16-6-8)11(12(14)15)9-2-4-17-7-9;1-2/h1-7,13H,(H2,14,15);1-2H2/b11-10+,13-5+;
InChIKeyPXNZGNCDDIEJKA-FAQOJWHUSA-N
XLogP3.66
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide?
The IUPAC name of ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide (CID 143625473) is ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide.
What is the SMILES notation for ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide?
The canonical SMILES for ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide is C=C.[H]/N=C/C(=C(\C(N)=O)c1ccsc1)c1ccsc1.
What is the InChIKey of ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide?
The InChIKey is PXNZGNCDDIEJKA-FAQOJWHUSA-N. The full InChI is InChI=1S/C12H10N2OS2.C2H4/c13-5-10(8-1-3-16-6-8)11(12(14)15)9-2-4-17-7-9;1-2/h1-7,13H,(H2,14,15);1-2H2/b11-10+,13-5+;.
What are the key properties of ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide?
ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide is sourced from PubChem (CID 143625473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).