(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine

C30H20N4S2 — CID 132962070

IUPAC(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine
SMILESc1ccc(/N=C2\S/C(=C3\N=C(c4ccccc4)/C(=N/c4ccccc4)S3)N=C2c2ccccc2)cc1
InChIInChI=1S/C30H20N4S2/c1-5-13-21(14-6-1)25-27(31-23-17-9-3-10-18-23)35-29(33-25)30-34-26(22-15-7-2-8-16-22)28(36-30)32-24-19-11-4-12-20-24/h1-20H/b30-29+,31-27-,32-28-
InChIKeyJABDCNNJMJPSDI-MZBVAFMESA-N
MW500.65 g/mol
LogP8.05
Rot. Bonds4

About (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine

(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine (PubChem CID 132962070) has the molecular formula C30H20N4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine.

Molecular Properties

Compound Name(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine
PubChem CID132962070
Molecular FormulaC30H20N4S2
Molecular Weight500.65 g/mol
Exact Mass500.11
IUPAC Name(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine
SMILESc1ccc(/N=C2\S/C(=C3\N=C(c4ccccc4)/C(=N/c4ccccc4)S3)N=C2c2ccccc2)cc1
InChIInChI=1S/C30H20N4S2/c1-5-13-21(14-6-1)25-27(31-23-17-9-3-10-18-23)35-29(33-25)30-34-26(22-15-7-2-8-16-22)28(36-30)32-24-19-11-4-12-20-24/h1-20H/b30-29+,31-27-,32-28-
InChIKeyJABDCNNJMJPSDI-MZBVAFMESA-N
XLogP8.05
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-phenylcyclohexa-2,5-dien-1-imine
CID 53401250
2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one
CID 11748777
diphenyldiazene;hydrofluoride
CID 174857584
1-N-methyl-4-N-[4-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)amino]phenyl]cyclohexa-2,5-diene-1,4-diimine
CID 20673086
5-N-[(4-isocyano-1,2-dimethylpyrazol-3-ylidene)amino]-2-N-methyl-4-phenyl-1,3-thiazole-2,5-diimine
CID 72604243
5-N-[(Z)-(4-isocyano-1,2-dimethylpyrazol-3-ylidene)amino]-2-N-methyl-4-phenyl-1,3-thiazole-2,5-diimine
CID 59950014
ethane;4-phenyliminocyclohexa-2,5-dien-1-one
CID 91171720
phenyl-[4-(2-phenylphenyl)phenyl]diazene
CID 168866136
bis(diphenyldiazene);uranium;vanadium
CID 158886927
benzene;tris(1,1'-biphenyl)
CID 162155747
2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine
CID 4139929
phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium
CID 140581401

Frequently Asked Questions

What is the IUPAC name of (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine?
The IUPAC name of (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine (CID 132962070) is (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine.
What is the SMILES notation for (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine?
The canonical SMILES for (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine is c1ccc(/N=C2\S/C(=C3\N=C(c4ccccc4)/C(=N/c4ccccc4)S3)N=C2c2ccccc2)cc1.
What is the InChIKey of (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine?
The InChIKey is JABDCNNJMJPSDI-MZBVAFMESA-N. The full InChI is InChI=1S/C30H20N4S2/c1-5-13-21(14-6-1)25-27(31-23-17-9-3-10-18-23)35-29(33-25)30-34-26(22-15-7-2-8-16-22)28(36-30)32-24-19-11-4-12-20-24/h1-20H/b30-29+,31-27-,32-28-.
What are the key properties of (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine?
(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine has a molecular weight of 500.65 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine is sourced from PubChem (CID 132962070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).