[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene

C15H11N5O2S — CID 91930693

IUPAC[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene
SMILESO=[N+]([O-])c1cccc(-c2csc(/N=N/Cc3ccccn3)n2)c1
InChIInChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-8,10H,9H2/b19-17+
InChIKeyDLYXBEAIFXAIHS-HTXNQAPBSA-N
MW325.35 g/mol
LogP4.40
Rot. Bonds5

About [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene

[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene (PubChem CID 91930693) has the molecular formula C15H11N5O2S and a molecular weight of 325.35 g/mol. Its IUPAC name is [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene.

Molecular Properties

Compound Name[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene
PubChem CID91930693
Molecular FormulaC15H11N5O2S
Molecular Weight325.35 g/mol
Exact Mass325.06
IUPAC Name[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene
SMILESO=[N+]([O-])c1cccc(-c2csc(/N=N/Cc3ccccn3)n2)c1
InChIInChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-8,10H,9H2/b19-17+
InChIKeyDLYXBEAIFXAIHS-HTXNQAPBSA-N
XLogP4.40
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene 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

2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
4-(3-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
CID 9174104
2-chloro-N'-[(E)-N'-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamimidoyl]benzenecarboximidamide
CID 155144510
2-bromo-4-(3-nitrophenyl)-1,3-thiazole;ethanol
CID 176652782
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
3-chloro-N'-[N'-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamimidoyl]benzenecarboximidamide
CID 146709840
[4-(4-bromophenyl)-1,3-thiazol-2-yl]-[(4-chloro-3-nitrophenyl)methyl]diazene
CID 91426578

Frequently Asked Questions

What is the IUPAC name of [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene?
The IUPAC name of [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene (CID 91930693) is [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene.
What is the SMILES notation for [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene?
The canonical SMILES for [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene is O=[N+]([O-])c1cccc(-c2csc(/N=N/Cc3ccccn3)n2)c1.
What is the InChIKey of [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene?
The InChIKey is DLYXBEAIFXAIHS-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-8,10H,9H2/b19-17+.
What are the key properties of [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene?
[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene has a molecular weight of 325.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene is sourced from PubChem (CID 91930693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).