(Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide

C12H12F2N2OS — CID 167834787

IUPAC(Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1cc(C(F)F)cs1
InChIInChI=1S/C12H12F2N2OS/c1-2-3-16-12(17)8(6-15)4-10-5-9(7-18-10)11(13)14/h4-5,7,11H,2-3H2,1H3,(H,16,17)/b8-4-
InChIKeyQJGBEYWMWVWEOC-YWEYNIOJSA-N
MW270.30 g/mol
LogP3.12
Rot. Bonds5

About (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide

(Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide (PubChem CID 167834787) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide
PubChem CID167834787
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name(Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1cc(C(F)F)cs1
InChIInChI=1S/C12H12F2N2OS/c1-2-3-16-12(17)8(6-15)4-10-5-9(7-18-10)11(13)14/h4-5,7,11H,2-3H2,1H3,(H,16,17)/b8-4-
InChIKeyQJGBEYWMWVWEOC-YWEYNIOJSA-N
XLogP3.12
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide (CID 167834787) is (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\c1cc(C(F)F)cs1.
What is the InChIKey of (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide?
The InChIKey is QJGBEYWMWVWEOC-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-2-3-16-12(17)8(6-15)4-10-5-9(7-18-10)11(13)14/h4-5,7,11H,2-3H2,1H3,(H,16,17)/b8-4-.
What are the key properties of (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide?
(Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide has a molecular weight of 270.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(difluoromethyl)thiophen-2-yl]-N-propylprop-2-enamide is sourced from PubChem (CID 167834787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).