chloro(1,3-thiazol-2-yl)diazene

C3H2ClN3S — CID 71437745

IUPACchloro(1,3-thiazol-2-yl)diazene
SMILESClN=Nc1nccs1
InChIInChI=1S/C3H2ClN3S/c4-7-6-3-5-1-2-8-3/h1-2H
InChIKeyNUGLTBTYKBZWRO-UHFFFAOYSA-N
MW147.59 g/mol
LogP2.38
Rot. Bonds1

About chloro(1,3-thiazol-2-yl)diazene

chloro(1,3-thiazol-2-yl)diazene (PubChem CID 71437745) has the molecular formula C3H2ClN3S and a molecular weight of 147.59 g/mol. Its IUPAC name is chloro(1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Namechloro(1,3-thiazol-2-yl)diazene
PubChem CID71437745
Molecular FormulaC3H2ClN3S
Molecular Weight147.59 g/mol
Exact Mass146.97
IUPAC Namechloro(1,3-thiazol-2-yl)diazene
SMILESClN=Nc1nccs1
InChIInChI=1S/C3H2ClN3S/c4-7-6-3-5-1-2-8-3/h1-2H
InChIKeyNUGLTBTYKBZWRO-UHFFFAOYSA-N
XLogP2.38
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.59
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(1,3-thiazol-2-yl)diazene?
The IUPAC name of chloro(1,3-thiazol-2-yl)diazene (CID 71437745) is chloro(1,3-thiazol-2-yl)diazene.
What is the SMILES notation for chloro(1,3-thiazol-2-yl)diazene?
The canonical SMILES for chloro(1,3-thiazol-2-yl)diazene is ClN=Nc1nccs1.
What is the InChIKey of chloro(1,3-thiazol-2-yl)diazene?
The InChIKey is NUGLTBTYKBZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClN3S/c4-7-6-3-5-1-2-8-3/h1-2H.
What are the key properties of chloro(1,3-thiazol-2-yl)diazene?
chloro(1,3-thiazol-2-yl)diazene has a molecular weight of 147.59 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 71437745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).