N,3,4-triphenyl-1,3-thiazol-2-imine

C21H16N2S — CID 725578

IUPACN,3,4-triphenyl-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2S/c1-4-10-17(11-5-1)20-16-24-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-16H/b22-21-
InChIKeyHAFRCFZWBMTRDZ-DQRAZIAOSA-N
MW328.44 g/mol
LogP5.44
Rot. Bonds3

About N,3,4-triphenyl-1,3-thiazol-2-imine

N,3,4-triphenyl-1,3-thiazol-2-imine (PubChem CID 725578) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N,3,4-triphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,3,4-triphenyl-1,3-thiazol-2-imine
PubChem CID725578
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC NameN,3,4-triphenyl-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2S/c1-4-10-17(11-5-1)20-16-24-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-16H/b22-21-
InChIKeyHAFRCFZWBMTRDZ-DQRAZIAOSA-N
XLogP5.44
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.44
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 N,3,4-triphenyl-1,3-thiazol-2-imine?
The IUPAC name of N,3,4-triphenyl-1,3-thiazol-2-imine (CID 725578) is N,3,4-triphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N,3,4-triphenyl-1,3-thiazol-2-imine?
The canonical SMILES for N,3,4-triphenyl-1,3-thiazol-2-imine is c1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of N,3,4-triphenyl-1,3-thiazol-2-imine?
The InChIKey is HAFRCFZWBMTRDZ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H16N2S/c1-4-10-17(11-5-1)20-16-24-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-16H/b22-21-.
What are the key properties of N,3,4-triphenyl-1,3-thiazol-2-imine?
N,3,4-triphenyl-1,3-thiazol-2-imine has a molecular weight of 328.44 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-triphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).