1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine

C8H10AlN5S — CID 163838805

IUPAC1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
SMILESCCc1nc(N=C[AlH2])sc1-n1cncn1
InChIInChI=1S/C8H8N5S.Al.2H/c1-3-6-7(13-5-10-4-11-13)14-8(9-2)12-6;;;/h2,4-5H,3H2,1H3;;;
InChIKeyOKCLRCVHJYUKSJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.58
Rot. Bonds3

About 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine

1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine (PubChem CID 163838805) has the molecular formula C8H10AlN5S and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
PubChem CID163838805
Molecular FormulaC8H10AlN5S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC Name1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
SMILESCCc1nc(N=C[AlH2])sc1-n1cncn1
InChIInChI=1S/C8H8N5S.Al.2H/c1-3-6-7(13-5-10-4-11-13)14-8(9-2)12-6;;;/h2,4-5H,3H2,1H3;;;
InChIKeyOKCLRCVHJYUKSJ-UHFFFAOYSA-N
XLogP0.58
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine (CID 163838805) is 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine is CCc1nc(N=C[AlH2])sc1-n1cncn1.
What is the InChIKey of 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is OKCLRCVHJYUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N5S.Al.2H/c1-3-6-7(13-5-10-4-11-13)14-8(9-2)12-6;;;/h2,4-5H,3H2,1H3;;;.
What are the key properties of 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 235.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 163838805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).