[(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C27H29N5O2S — CID 154703695

IUPAC[(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESC=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs/c1=N\N=C\C=C\c1ccco1
InChIInChI=1S/C27H29N5O2S/c1-2-15-32-25(22-35-27(32)29-28-14-6-12-24-13-8-21-34-24)26(33)31-19-17-30(18-20-31)16-7-11-23-9-4-3-5-10-23/h2-14,21-22H,1,15-20H2/b11-7+,12-6+,28-14+,29-27-
InChIKeyCLPJSKZLDXYDPB-FXDWFLARSA-N
MW487.63 g/mol
LogP4.40
Rot. Bonds9

About [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 154703695) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID154703695
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC Name[(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESC=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs/c1=N\N=C\C=C\c1ccco1
InChIInChI=1S/C27H29N5O2S/c1-2-15-32-25(22-35-27(32)29-28-14-6-12-24-13-8-21-34-24)26(33)31-19-17-30(18-20-31)16-7-11-23-9-4-3-5-10-23/h2-14,21-22H,1,15-20H2/b11-7+,12-6+,28-14+,29-27-
InChIKeyCLPJSKZLDXYDPB-FXDWFLARSA-N
XLogP4.40
TPSA66.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone 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 [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 154703695) is [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is C=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs/c1=N\N=C\C=C\c1ccco1.
What is the InChIKey of [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is CLPJSKZLDXYDPB-FXDWFLARSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-2-15-32-25(22-35-27(32)29-28-14-6-12-24-13-8-21-34-24)26(33)31-19-17-30(18-20-31)16-7-11-23-9-4-3-5-10-23/h2-14,21-22H,1,15-20H2/b11-7+,12-6+,28-14+,29-27-.
What are the key properties of [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 487.63 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 154703695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).