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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Related Compounds

(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
CID 10730521
2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol
CID 135799788
(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
CID 135447720
(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine
CID 11601149
3-hydroxy-2-(1,3-thiazol-2-yliminomethyl)inden-1-one
CID 135476333
1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
CID 135443142
2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
CID 135688989
4-methoxy-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 935743
2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135432812
N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
CID 554614
2-(sulfinylamino)-1,3-thiazole
CID 15208333
2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135614191

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).