5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione

C20H18N6O3S2 — CID 166658766

IUPAC5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1ccc(/N=N/c2nc3sc(C=C4C(=O)NC(=O)NC4=O)cc3s2)cc1
InChIInChI=1S/C20H18N6O3S2/c1-3-26(4-2)12-7-5-11(6-8-12)24-25-20-23-18-15(31-20)10-13(30-18)9-14-16(27)21-19(29)22-17(14)28/h5-10H,3-4H2,1-2H3,(H2,21,22,27,28,29)/b25-24+
InChIKeyJUHINTMNVINPAW-OCOZRVBESA-N
MW454.54 g/mol
LogP4.37
Rot. Bonds6

About 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 166658766) has the molecular formula C20H18N6O3S2 and a molecular weight of 454.54 g/mol. Its IUPAC name is 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID166658766
Molecular FormulaC20H18N6O3S2
Molecular Weight454.54 g/mol
Exact Mass454.09
IUPAC Name5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1ccc(/N=N/c2nc3sc(C=C4C(=O)NC(=O)NC4=O)cc3s2)cc1
InChIInChI=1S/C20H18N6O3S2/c1-3-26(4-2)12-7-5-11(6-8-12)24-25-20-23-18-15(31-20)10-13(30-18)9-14-16(27)21-19(29)22-17(14)28/h5-10H,3-4H2,1-2H3,(H2,21,22,27,28,29)/b25-24+
InChIKeyJUHINTMNVINPAW-OCOZRVBESA-N
XLogP4.37
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione 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 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 166658766) is 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione is CCN(CC)c1ccc(/N=N/c2nc3sc(C=C4C(=O)NC(=O)NC4=O)cc3s2)cc1.
What is the InChIKey of 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is JUHINTMNVINPAW-OCOZRVBESA-N. The full InChI is InChI=1S/C20H18N6O3S2/c1-3-26(4-2)12-7-5-11(6-8-12)24-25-20-23-18-15(31-20)10-13(30-18)9-14-16(27)21-19(29)22-17(14)28/h5-10H,3-4H2,1-2H3,(H2,21,22,27,28,29)/b25-24+.
What are the key properties of 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 454.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 166658766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).