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

C8H7N3S — CID 135447720

IUPAC(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=N/c1nccs1)\c1ccc[nH]1
InChIInChI=1S/C8H7N3S/c1-2-7(9-3-1)6-11-8-10-4-5-12-8/h1-6,9H/b11-6+
InChIKeyIFTXGTLSJDAGTN-IZZDOVSWSA-N
MW177.23 g/mol
LogP2.22
Rot. Bonds2

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

(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 135447720) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
PubChem CID135447720
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=N/c1nccs1)\c1ccc[nH]1
InChIInChI=1S/C8H7N3S/c1-2-7(9-3-1)6-11-8-10-4-5-12-8/h1-6,9H/b11-6+
InChIKeyIFTXGTLSJDAGTN-IZZDOVSWSA-N
XLogP2.22
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.22
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-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine (CID 135447720) is (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine is C(=N/c1nccs1)\c1ccc[nH]1.
What is the InChIKey of (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is IFTXGTLSJDAGTN-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H7N3S/c1-2-7(9-3-1)6-11-8-10-4-5-12-8/h1-6,9H/b11-6+.
What are the key properties of (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 177.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 135447720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).