N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine

C13H10N4OS2 — CID 145104389

IUPACN-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
SMILESC=Nc1nc(-c2csc(-c3cncc(OC)c3)n2)cs1
InChIInChI=1S/C13H10N4OS2/c1-14-13-17-11(7-20-13)10-6-19-12(16-10)8-3-9(18-2)5-15-4-8/h3-7H,1H2,2H3
InChIKeyJMIXEWWACQNGQS-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.67
Rot. Bonds4

About N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine

N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine (PubChem CID 145104389) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
PubChem CID145104389
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC NameN-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
SMILESC=Nc1nc(-c2csc(-c3cncc(OC)c3)n2)cs1
InChIInChI=1S/C13H10N4OS2/c1-14-13-17-11(7-20-13)10-6-19-12(16-10)8-3-9(18-2)5-15-4-8/h3-7H,1H2,2H3
InChIKeyJMIXEWWACQNGQS-UHFFFAOYSA-N
XLogP3.67
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.67
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 N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
The IUPAC name of N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine (CID 145104389) is N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine is C=Nc1nc(-c2csc(-c3cncc(OC)c3)n2)cs1.
What is the InChIKey of N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
The InChIKey is JMIXEWWACQNGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c1-14-13-17-11(7-20-13)10-6-19-12(16-10)8-3-9(18-2)5-15-4-8/h3-7H,1H2,2H3.
What are the key properties of N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine has a molecular weight of 302.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 145104389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).