(E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene

C7H6N4S — CID 135679332

IUPAC(E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
SMILESc1c[nH]c(/N=N/c2nccs2)c1
InChIInChI=1S/C7H6N4S/c1-2-6(8-3-1)10-11-7-9-4-5-12-7/h1-5,8H/b11-10+
InChIKeyFLCRRDDPPNONFG-ZHACJKMWSA-N
MW178.22 g/mol
LogP2.89
Rot. Bonds2

About (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene

(E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene (PubChem CID 135679332) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name(E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
PubChem CID135679332
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name(E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
SMILESc1c[nH]c(/N=N/c2nccs2)c1
InChIInChI=1S/C7H6N4S/c1-2-6(8-3-1)10-11-7-9-4-5-12-7/h1-5,8H/b11-10+
InChIKeyFLCRRDDPPNONFG-ZHACJKMWSA-N
XLogP2.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene 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 (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
The IUPAC name of (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene (CID 135679332) is (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene.
What is the SMILES notation for (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
The canonical SMILES for (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene is c1c[nH]c(/N=N/c2nccs2)c1.
What is the InChIKey of (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
The InChIKey is FLCRRDDPPNONFG-ZHACJKMWSA-N. The full InChI is InChI=1S/C7H6N4S/c1-2-6(8-3-1)10-11-7-9-4-5-12-7/h1-5,8H/b11-10+.
What are the key properties of (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
(E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene has a molecular weight of 178.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 135679332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).