N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine

C36H34N4S2 — CID 45488910

IUPACN,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)s/c2=N\c2ccccc2)cc1
InChIInChI=1S/C36H34N4S2/c1(15-25-39-27-33(29-17-7-3-8-18-29)41-35(39)37-31-21-11-5-12-22-31)2-16-26-40-28-34(30-19-9-4-10-20-30)42-36(40)38-32-23-13-6-14-24-32/h3-14,17-24,27-28H,1-2,15-16,25-26H2/b37-35-,38-36-
InChIKeyMKZXPPMFFHIXHH-JXPYRENWSA-N
MW586.83 g/mol
LogP9.47
Rot. Bonds11

About N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine

N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine (PubChem CID 45488910) has the molecular formula C36H34N4S2 and a molecular weight of 586.83 g/mol. Its IUPAC name is N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine
PubChem CID45488910
Molecular FormulaC36H34N4S2
Molecular Weight586.83 g/mol
Exact Mass586.22
IUPAC NameN,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)s/c2=N\c2ccccc2)cc1
InChIInChI=1S/C36H34N4S2/c1(15-25-39-27-33(29-17-7-3-8-18-29)41-35(39)37-31-21-11-5-12-22-31)2-16-26-40-28-34(30-19-9-4-10-20-30)42-36(40)38-32-23-13-6-14-24-32/h3-14,17-24,27-28H,1-2,15-16,25-26H2/b37-35-,38-36-
InChIKeyMKZXPPMFFHIXHH-JXPYRENWSA-N
XLogP9.47
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.83
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine?
The IUPAC name of N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine (CID 45488910) is N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine.
What is the SMILES notation for N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine?
The canonical SMILES for N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine is c1ccc(/N=c2\sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)s/c2=N\c2ccccc2)cc1.
What is the InChIKey of N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine?
The InChIKey is MKZXPPMFFHIXHH-JXPYRENWSA-N. The full InChI is InChI=1S/C36H34N4S2/c1(15-25-39-27-33(29-17-7-3-8-18-29)41-35(39)37-31-21-11-5-12-22-31)2-16-26-40-28-34(30-19-9-4-10-20-30)42-36(40)38-32-23-13-6-14-24-32/h3-14,17-24,27-28H,1-2,15-16,25-26H2/b37-35-,38-36-.
What are the key properties of N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine?
N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine has a molecular weight of 586.83 g/mol, XLogP of 9.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 45488910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).