1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine

C9H6ClN3S — CID 86649151

IUPAC1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine
SMILESClc1ccc(C=Nc2nccs2)cn1
InChIInChI=1S/C9H6ClN3S/c10-8-2-1-7(5-12-8)6-13-9-11-3-4-14-9/h1-6H
InChIKeyQOKPPHILMCQQHJ-UHFFFAOYSA-N
MW223.69 g/mol
LogP2.94
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine

1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 86649151) has the molecular formula C9H6ClN3S and a molecular weight of 223.69 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine
PubChem CID86649151
Molecular FormulaC9H6ClN3S
Molecular Weight223.69 g/mol
Exact Mass223.00
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine
SMILESClc1ccc(C=Nc2nccs2)cn1
InChIInChI=1S/C9H6ClN3S/c10-8-2-1-7(5-12-8)6-13-9-11-3-4-14-9/h1-6H
InChIKeyQOKPPHILMCQQHJ-UHFFFAOYSA-N
XLogP2.94
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine (CID 86649151) is 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine is Clc1ccc(C=Nc2nccs2)cn1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is QOKPPHILMCQQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3S/c10-8-2-1-7(5-12-8)6-13-9-11-3-4-14-9/h1-6H.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine?
1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 223.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 86649151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).