4-methyl-N,3-diphenyl-1,3-thiazol-2-imine

C16H14N2S — CID 737533

IUPAC4-methyl-N,3-diphenyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N2S/c1-13-12-19-16(17-14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15/h2-12H,1H3/b17-16-
InChIKeyZAZFBFUGJVVJQE-MSUUIHNZSA-N
MW266.37 g/mol
LogP4.08
Rot. Bonds2

About 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine

4-methyl-N,3-diphenyl-1,3-thiazol-2-imine (PubChem CID 737533) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-N,3-diphenyl-1,3-thiazol-2-imine
PubChem CID737533
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-methyl-N,3-diphenyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N2S/c1-13-12-19-16(17-14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15/h2-12H,1H3/b17-16-
InChIKeyZAZFBFUGJVVJQE-MSUUIHNZSA-N
XLogP4.08
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine (CID 737533) is 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine?
The InChIKey is ZAZFBFUGJVVJQE-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2S/c1-13-12-19-16(17-14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15/h2-12H,1H3/b17-16-.
What are the key properties of 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine?
4-methyl-N,3-diphenyl-1,3-thiazol-2-imine has a molecular weight of 266.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,3-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 737533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).