(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate

C15H12F2NO2S- — CID 18691441

IUPAC(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate
SMILESNC(C/C=C(\c1ccsc1)c1ccc(F)cc1F)C(=O)[O-]
InChIInChI=1S/C15H13F2NO2S/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20/h1-3,5-8,14H,4,18H2,(H,19,20)/p-1/b11-3+
InChIKeyHZJDVLYSPPQMTL-QDEBKDIKSA-M
MW308.33 g/mol
LogP1.93
Rot. Bonds5

About (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate

(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate (PubChem CID 18691441) has the molecular formula C15H12F2NO2S- and a molecular weight of 308.33 g/mol. Its IUPAC name is (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate.

Molecular Properties

Compound Name(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate
PubChem CID18691441
Molecular FormulaC15H12F2NO2S-
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate
SMILESNC(C/C=C(\c1ccsc1)c1ccc(F)cc1F)C(=O)[O-]
InChIInChI=1S/C15H13F2NO2S/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20/h1-3,5-8,14H,4,18H2,(H,19,20)/p-1/b11-3+
InChIKeyHZJDVLYSPPQMTL-QDEBKDIKSA-M
XLogP1.93
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate 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-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate?
The IUPAC name of (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate (CID 18691441) is (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate.
What is the SMILES notation for (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate?
The canonical SMILES for (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate is NC(C/C=C(\c1ccsc1)c1ccc(F)cc1F)C(=O)[O-].
What is the InChIKey of (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate?
The InChIKey is HZJDVLYSPPQMTL-QDEBKDIKSA-M. The full InChI is InChI=1S/C15H13F2NO2S/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20/h1-3,5-8,14H,4,18H2,(H,19,20)/p-1/b11-3+.
What are the key properties of (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate?
(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate has a molecular weight of 308.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate is sourced from PubChem (CID 18691441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).