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

C8H11N3OS — CID 2088725

IUPAC1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=Nc1nccs1)N1CCOCC1
InChIInChI=1S/C8H11N3OS/c1-6-13-8(9-1)10-7-11-2-4-12-5-3-11/h1,6-7H,2-5H2
InChIKeyDNEUGYGXZUJAPN-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.14
Rot. Bonds2

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

1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 2088725) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
PubChem CID2088725
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
SMILESC(=Nc1nccs1)N1CCOCC1
InChIInChI=1S/C8H11N3OS/c1-6-13-8(9-1)10-7-11-2-4-12-5-3-11/h1,6-7H,2-5H2
InChIKeyDNEUGYGXZUJAPN-UHFFFAOYSA-N
XLogP1.14
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine (CID 2088725) is 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine is C(=Nc1nccs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is DNEUGYGXZUJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-13-8(9-1)10-7-11-2-4-12-5-3-11/h1,6-7H,2-5H2.
What are the key properties of 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine?
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 197.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 2088725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).