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

C14H11N5O2S2 — CID 91929539

IUPAC[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene
SMILESCC(/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1
InChIInChI=1S/C14H11N5O2S2/c1-9(13-15-6-7-22-13)17-18-14-16-12(8-23-14)10-2-4-11(5-3-10)19(20)21/h2-9H,1H3/b18-17+
InChIKeyYEZBCXVMVJDEQX-ISLYRVAYSA-N
MW345.41 g/mol
LogP5.02
Rot. Bonds5

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

[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene (PubChem CID 91929539) has the molecular formula C14H11N5O2S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene.

Molecular Properties

Compound Name[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene
PubChem CID91929539
Molecular FormulaC14H11N5O2S2
Molecular Weight345.41 g/mol
Exact Mass345.04
IUPAC Name[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene
SMILESCC(/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1
InChIInChI=1S/C14H11N5O2S2/c1-9(13-15-6-7-22-13)17-18-14-16-12(8-23-14)10-2-4-11(5-3-10)19(20)21/h2-9H,1H3/b18-17+
InChIKeyYEZBCXVMVJDEQX-ISLYRVAYSA-N
XLogP5.02
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene?
The IUPAC name of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene (CID 91929539) is [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene.
What is the SMILES notation for [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene?
The canonical SMILES for [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene is CC(/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1.
What is the InChIKey of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene?
The InChIKey is YEZBCXVMVJDEQX-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11N5O2S2/c1-9(13-15-6-7-22-13)17-18-14-16-12(8-23-14)10-2-4-11(5-3-10)19(20)21/h2-9H,1H3/b18-17+.
What are the key properties of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene?
[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene has a molecular weight of 345.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene is sourced from PubChem (CID 91929539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).