1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

C24H28N2S — CID 130350375

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCc1nc(/C(=N\c2c(C(C)C)cccc2C(C)C)c2ccccc2)sc1C
InChIInChI=1S/C24H28N2S/c1-15(2)20-13-10-14-21(16(3)4)23(20)26-22(19-11-8-7-9-12-19)24-25-17(5)18(6)27-24/h7-16H,1-6H3/b26-22-
InChIKeyVXFKRVNNIPCNHG-ROMGYVFFSA-N
MW376.57 g/mol
LogP7.18
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (PubChem CID 130350375) has the molecular formula C24H28N2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
PubChem CID130350375
Molecular FormulaC24H28N2S
Molecular Weight376.57 g/mol
Exact Mass376.20
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCc1nc(/C(=N\c2c(C(C)C)cccc2C(C)C)c2ccccc2)sc1C
InChIInChI=1S/C24H28N2S/c1-15(2)20-13-10-14-21(16(3)4)23(20)26-22(19-11-8-7-9-12-19)24-25-17(5)18(6)27-24/h7-16H,1-6H3/b26-22-
InChIKeyVXFKRVNNIPCNHG-ROMGYVFFSA-N
XLogP7.18
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 57.18
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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (CID 130350375) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is Cc1nc(/C(=N\c2c(C(C)C)cccc2C(C)C)c2ccccc2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The InChIKey is VXFKRVNNIPCNHG-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H28N2S/c1-15(2)20-13-10-14-21(16(3)4)23(20)26-22(19-11-8-7-9-12-19)24-25-17(5)18(6)27-24/h7-16H,1-6H3/b26-22-.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine has a molecular weight of 376.57 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 130350375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).