(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine

C12H9N3S — CID 135403056

IUPAC(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=N/c1nccs1)\c1c[nH]c2ccccc12
InChIInChI=1S/C12H9N3S/c1-2-4-11-10(3-1)9(7-14-11)8-15-12-13-5-6-16-12/h1-8,14H/b15-8+
InChIKeyJUWMQHRMSUEMGG-OVCLIPMQSA-N
MW227.29 g/mol
LogP3.38
Rot. Bonds2

About (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine

(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 135403056) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine
PubChem CID135403056
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=N/c1nccs1)\c1c[nH]c2ccccc12
InChIInChI=1S/C12H9N3S/c1-2-4-11-10(3-1)9(7-14-11)8-15-12-13-5-6-16-12/h1-8,14H/b15-8+
InChIKeyJUWMQHRMSUEMGG-OVCLIPMQSA-N
XLogP3.38
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine (CID 135403056) is (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine is C(=N/c1nccs1)\c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is JUWMQHRMSUEMGG-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-4-11-10(3-1)9(7-14-11)8-15-12-13-5-6-16-12/h1-8,14H/b15-8+.
What are the key properties of (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine?
(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 227.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 135403056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).