1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine

C9H7N3S — CID 547523

IUPAC1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=Nc1nccs1)c1ccncc1
InChIInChI=1S/C9H7N3S/c1-3-10-4-2-8(1)7-12-9-11-5-6-13-9/h1-7H
InChIKeyUFSGQCLHAAHWKA-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.29
Rot. Bonds2

About 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine

1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 547523) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine
PubChem CID547523
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=Nc1nccs1)c1ccncc1
InChIInChI=1S/C9H7N3S/c1-3-10-4-2-8(1)7-12-9-11-5-6-13-9/h1-7H
InChIKeyUFSGQCLHAAHWKA-UHFFFAOYSA-N
XLogP2.29
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine (CID 547523) is 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine is C(=Nc1nccs1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is UFSGQCLHAAHWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c1-3-10-4-2-8(1)7-12-9-11-5-6-13-9/h1-7H.
What are the key properties of 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 189.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 547523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).