(E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine

C8H5ClN6S — CID 167808660

IUPAC(E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESClc1c(/C=N/n2cnnc2)nc2sccn12
InChIInChI=1S/C8H5ClN6S/c9-7-6(3-12-14-4-10-11-5-14)13-8-15(7)1-2-16-8/h1-5H/b12-3+
InChIKeyRJGZEXAWTPDSKA-KGVSQERTSA-N
MW252.69 g/mol
LogP1.52
Rot. Bonds2

About (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 167808660) has the molecular formula C8H5ClN6S and a molecular weight of 252.69 g/mol. Its IUPAC name is (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID167808660
Molecular FormulaC8H5ClN6S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name(E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESClc1c(/C=N/n2cnnc2)nc2sccn12
InChIInChI=1S/C8H5ClN6S/c9-7-6(3-12-14-4-10-11-5-14)13-8-15(7)1-2-16-8/h1-5H/b12-3+
InChIKeyRJGZEXAWTPDSKA-KGVSQERTSA-N
XLogP1.52
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 167808660) is (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine is Clc1c(/C=N/n2cnnc2)nc2sccn12.
What is the InChIKey of (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is RJGZEXAWTPDSKA-KGVSQERTSA-N. The full InChI is InChI=1S/C8H5ClN6S/c9-7-6(3-12-14-4-10-11-5-14)13-8-15(7)1-2-16-8/h1-5H/b12-3+.
What are the key properties of (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 252.69 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 167808660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).