3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine

C31H27N3S — CID 2472240

IUPAC3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2N=Cc2cc(C)ccc2C)c1
InChIInChI=1S/C31H27N3S/c1-22-8-7-11-29(19-22)33-31-34(32-20-28-18-23(2)12-13-24(28)3)30(21-35-31)27-16-14-26(15-17-27)25-9-5-4-6-10-25/h4-21H,1-3H3/b32-20?,33-31-
InChIKeyRHHVSXJCPGDMDH-YZKBAMODSA-N
MW473.65 g/mol
LogP7.92
Rot. Bonds5

About 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine

3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine (PubChem CID 2472240) has the molecular formula C31H27N3S and a molecular weight of 473.65 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
PubChem CID2472240
Molecular FormulaC31H27N3S
Molecular Weight473.65 g/mol
Exact Mass473.19
IUPAC Name3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2N=Cc2cc(C)ccc2C)c1
InChIInChI=1S/C31H27N3S/c1-22-8-7-11-29(19-22)33-31-34(32-20-28-18-23(2)12-13-24(28)3)30(21-35-31)27-16-14-26(15-17-27)25-9-5-4-6-10-25/h4-21H,1-3H3/b32-20?,33-31-
InChIKeyRHHVSXJCPGDMDH-YZKBAMODSA-N
XLogP7.92
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.65
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 23818633
3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 135799806
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
4-[[3-[(2,5-dimethylphenyl)methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23965760
3-(1H-indol-3-ylmethylideneamino)-4-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 135848383
3-[[4-(4-methylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135839067
N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135600778
(E)-3-[(E)-(2-ethoxyphenyl)methylideneamino]-4-(4-ethylphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 6903102
3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine
CID 23908093
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine
CID 2369883
(E)-4-(5-bromothiophen-2-yl)-3-[(E)-(2,4-dimethylphenyl)methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 6906254
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine (CID 2472240) is 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine is Cc1cccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2N=Cc2cc(C)ccc2C)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The InChIKey is RHHVSXJCPGDMDH-YZKBAMODSA-N. The full InChI is InChI=1S/C31H27N3S/c1-22-8-7-11-29(19-22)33-31-34(32-20-28-18-23(2)12-13-24(28)3)30(21-35-31)27-16-14-26(15-17-27)25-9-5-4-6-10-25/h4-21H,1-3H3/b32-20?,33-31-.
What are the key properties of 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine has a molecular weight of 473.65 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2472240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).