(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid

C14H7NO3S2 — CID 177492561

IUPAC(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid
SMILESN#C/C(=C/c1cc2sc(-c3ccco3)cc2s1)C(=O)O
InChIInChI=1S/C14H7NO3S2/c15-7-8(14(16)17)4-9-5-12-13(19-9)6-11(20-12)10-2-1-3-18-10/h1-6H,(H,16,17)/b8-4-
InChIKeyJJCFJVUIBWEHKI-YWEYNIOJSA-N
MW301.35 g/mol
LogP4.21
Rot. Bonds3

About (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid

(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid (PubChem CID 177492561) has the molecular formula C14H7NO3S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid
PubChem CID177492561
Molecular FormulaC14H7NO3S2
Molecular Weight301.35 g/mol
Exact Mass300.99
IUPAC Name(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid
SMILESN#C/C(=C/c1cc2sc(-c3ccco3)cc2s1)C(=O)O
InChIInChI=1S/C14H7NO3S2/c15-7-8(14(16)17)4-9-5-12-13(19-9)6-11(20-12)10-2-1-3-18-10/h1-6H,(H,16,17)/b8-4-
InChIKeyJJCFJVUIBWEHKI-YWEYNIOJSA-N
XLogP4.21
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid with MolForge

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Related Compounds

(E)-3-[5-[4-(N-[4-[2-[(E)-2-carboxy-2-cyanoethenyl]thieno[3,2-b]thiophen-5-yl]phenyl]anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-2-cyanoprop-2-enoic acid
CID 118286538
(E)-2-cyano-3-(6-hydroxy-1-benzothiophen-2-yl)prop-2-enoic acid
CID 145445194
(E)-2-cyano-3-(6-propan-2-yl-1-benzothiophen-2-yl)prop-2-enoic acid
CID 153392966
5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid
CID 112546100
3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoic acid
CID 4596279
(Z)-3-(4-bromo-5-methylthiophen-2-yl)-2-cyanoprop-2-enoic acid
CID 102837950
(Z)-2-cyano-3-[4-[5-(10-methylphenothiazin-3-yl)thieno[3,2-b]thiophen-2-yl]phenyl]prop-2-enoic acid
CID 171365975
2-cyano-3-(furan-3-yl)prop-2-enoic acid
CID 54244772
2-(furan-2-carbonyl)-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
CID 2822241
(E)-2-cyano-3-[5-[4-[4-[2-[(E)-2-cyano-2-formyloxyethenyl]thieno[3,2-b]thiophen-5-yl]-N-(4-octoxyphenyl)anilino]phenyl]thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid
CID 118283089
(E)-2-cyano-3-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]prop-2-enoic acid
CID 71276286
(Z)-3-[5-[2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thieno[3,2-b]thiophen-5-yl]thiophen-2-yl]-2-cyanoprop-2-enoic acid
CID 177431954

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid (CID 177492561) is (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid is N#C/C(=C/c1cc2sc(-c3ccco3)cc2s1)C(=O)O.
What is the InChIKey of (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid?
The InChIKey is JJCFJVUIBWEHKI-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H7NO3S2/c15-7-8(14(16)17)4-9-5-12-13(19-9)6-11(20-12)10-2-1-3-18-10/h1-6H,(H,16,17)/b8-4-.
What are the key properties of (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid?
(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid has a molecular weight of 301.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 177492561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).