2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate

C14H12N2O3S2 — CID 60582978

IUPAC2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCOCCOC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H12N2O3S2/c1-18-3-4-19-14(17)11(7-15)6-12-9-21-13(16-12)10-2-5-20-8-10/h2,5-6,8-9H,3-4H2,1H3/b11-6-
InChIKeyPNLFXTOQWQZDMV-WDZFZDKYSA-N
MW320.40 g/mol
LogP2.97
Rot. Bonds6

About 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate

2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate (PubChem CID 60582978) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate
PubChem CID60582978
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC Name2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCOCCOC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H12N2O3S2/c1-18-3-4-19-14(17)11(7-15)6-12-9-21-13(16-12)10-2-5-20-8-10/h2,5-6,8-9H,3-4H2,1H3/b11-6-
InChIKeyPNLFXTOQWQZDMV-WDZFZDKYSA-N
XLogP2.97
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-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 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate?
The IUPAC name of 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate (CID 60582978) is 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate.
What is the SMILES notation for 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate?
The canonical SMILES for 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate is COCCOC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate?
The InChIKey is PNLFXTOQWQZDMV-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-18-3-4-19-14(17)11(7-15)6-12-9-21-13(16-12)10-2-5-20-8-10/h2,5-6,8-9H,3-4H2,1H3/b11-6-.
What are the key properties of 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate?
2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate has a molecular weight of 320.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate is sourced from PubChem (CID 60582978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).