[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene

C10H8Cl2FN3S — CID 67906404

IUPAC[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene
SMILESFc1cccc(/N=N/C2=NCCS2)c1C(Cl)Cl
InChIInChI=1S/C10H8Cl2FN3S/c11-9(12)8-6(13)2-1-3-7(8)15-16-10-14-4-5-17-10/h1-3,9H,4-5H2/b16-15+
InChIKeyIMVIQOCKKYDIIO-FOCLMDBBSA-N
MW292.17 g/mol
LogP4.49
Rot. Bonds2

About [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene

[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene (PubChem CID 67906404) has the molecular formula C10H8Cl2FN3S and a molecular weight of 292.17 g/mol. Its IUPAC name is [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene
PubChem CID67906404
Molecular FormulaC10H8Cl2FN3S
Molecular Weight292.17 g/mol
Exact Mass290.98
IUPAC Name[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene
SMILESFc1cccc(/N=N/C2=NCCS2)c1C(Cl)Cl
InChIInChI=1S/C10H8Cl2FN3S/c11-9(12)8-6(13)2-1-3-7(8)15-16-10-14-4-5-17-10/h1-3,9H,4-5H2/b16-15+
InChIKeyIMVIQOCKKYDIIO-FOCLMDBBSA-N
XLogP4.49
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene?
The IUPAC name of [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene (CID 67906404) is [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene?
The canonical SMILES for [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene is Fc1cccc(/N=N/C2=NCCS2)c1C(Cl)Cl.
What is the InChIKey of [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene?
The InChIKey is IMVIQOCKKYDIIO-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H8Cl2FN3S/c11-9(12)8-6(13)2-1-3-7(8)15-16-10-14-4-5-17-10/h1-3,9H,4-5H2/b16-15+.
What are the key properties of [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene?
[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene has a molecular weight of 292.17 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 67906404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).