N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine

C17H22N2S — CID 58933058

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
SMILESCc1nc(/C=N/c2c(C(C)C)cccc2C(C)C)cs1
InChIInChI=1S/C17H22N2S/c1-11(2)15-7-6-8-16(12(3)4)17(15)18-9-14-10-20-13(5)19-14/h6-12H,1-5H3/b18-9+
InChIKeyIAJOJPUBCPNETO-GIJQJNRQSA-N
MW286.44 g/mol
LogP5.45
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine (PubChem CID 58933058) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
PubChem CID58933058
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
SMILESCc1nc(/C=N/c2c(C(C)C)cccc2C(C)C)cs1
InChIInChI=1S/C17H22N2S/c1-11(2)15-7-6-8-16(12(3)4)17(15)18-9-14-10-20-13(5)19-14/h6-12H,1-5H3/b18-9+
InChIKeyIAJOJPUBCPNETO-GIJQJNRQSA-N
XLogP5.45
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine (CID 58933058) is N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine is Cc1nc(/C=N/c2c(C(C)C)cccc2C(C)C)cs1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine?
The InChIKey is IAJOJPUBCPNETO-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H22N2S/c1-11(2)15-7-6-8-16(12(3)4)17(15)18-9-14-10-20-13(5)19-14/h6-12H,1-5H3/b18-9+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine has a molecular weight of 286.44 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine is sourced from PubChem (CID 58933058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).