N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine

C8H16N2S — CID 13283868

IUPACN-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine
SMILESCC(C)(C)/N=C/N1CCSC1
InChIInChI=1S/C8H16N2S/c1-8(2,3)9-6-10-4-5-11-7-10/h6H,4-5,7H2,1-3H3/b9-6+
InChIKeyXPUCOYBQNCEYBZ-RMKNXTFCSA-N
MW172.30 g/mol
LogP1.82
Rot. Bonds1

About N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine

N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine (PubChem CID 13283868) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine
PubChem CID13283868
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine
SMILESCC(C)(C)/N=C/N1CCSC1
InChIInChI=1S/C8H16N2S/c1-8(2,3)9-6-10-4-5-11-7-10/h6H,4-5,7H2,1-3H3/b9-6+
InChIKeyXPUCOYBQNCEYBZ-RMKNXTFCSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine (CID 13283868) is N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine is CC(C)(C)/N=C/N1CCSC1.
What is the InChIKey of N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine?
The InChIKey is XPUCOYBQNCEYBZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2S/c1-8(2,3)9-6-10-4-5-11-7-10/h6H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine?
N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine has a molecular weight of 172.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1,3-thiazolidin-3-yl)methanimine is sourced from PubChem (CID 13283868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).