(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

C17H14N4O2S2 — CID 90675446

IUPAC(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H14N4O2S2/c1-2-10-20-15(13-6-4-3-5-7-13)12-24-17(20)19-18-11-14-8-9-16(25-14)21(22)23/h2-9,11-12H,1,10H2/b18-11+,19-17-
InChIKeyCKTKQBJWDOJCQM-ONMBGNKZSA-N
MW370.46 g/mol
LogP4.31
Rot. Bonds6

About (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 90675446) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID90675446
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H14N4O2S2/c1-2-10-20-15(13-6-4-3-5-7-13)12-24-17(20)19-18-11-14-8-9-16(25-14)21(22)23/h2-9,11-12H,1,10H2/b18-11+,19-17-
InChIKeyCKTKQBJWDOJCQM-ONMBGNKZSA-N
XLogP4.31
TPSA72.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-1-(5-nitrothiophen-2-yl)methanimine oxide
CID 164618265
(E)-4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675441
(E)-4-(4-chlorophenyl)-N-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]amino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675454
(E)-4-(4-nitrophenyl)-N-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]amino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675455
(E)-4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 118718852
(E)-4-(5-bromothiophen-2-yl)-3-[(E)-(2-nitrophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904245
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675445
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
CID 90675447
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675448
(E)-4-(4-chlorophenyl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675451
(E)-4-(4-nitrophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine;hydrobromide
CID 90675462
(2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127039843

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (CID 90675446) is (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccc([N+](=O)[O-])s1.
What is the InChIKey of (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is CKTKQBJWDOJCQM-ONMBGNKZSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-2-10-20-15(13-6-4-3-5-7-13)12-24-17(20)19-18-11-14-8-9-16(25-14)21(22)23/h2-9,11-12H,1,10H2/b18-11+,19-17-.
What are the key properties of (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 370.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 90675446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).