5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C31H26ClN3O2S — CID 73370116

IUPAC5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1cc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCc1ccccc1
InChIInChI=1S/C31H26ClN3O2S/c1-2-36-28-19-23(13-18-27(28)37-21-22-9-5-3-6-10-22)20-33-35-31-34-29(24-11-7-4-8-12-24)30(38-31)25-14-16-26(32)17-15-25/h3-20H,2,21H2,1H3,(H,34,35)
InChIKeyNSLIBEXMJPOLHS-UHFFFAOYSA-N
MW540.09 g/mol
LogP8.55
Rot. Bonds10

About 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 73370116) has the molecular formula C31H26ClN3O2S and a molecular weight of 540.09 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID73370116
Molecular FormulaC31H26ClN3O2S
Molecular Weight540.09 g/mol
Exact Mass539.14
IUPAC Name5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1cc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCc1ccccc1
InChIInChI=1S/C31H26ClN3O2S/c1-2-36-28-19-23(13-18-27(28)37-21-22-9-5-3-6-10-22)20-33-35-31-34-29(24-11-7-4-8-12-24)30(38-31)25-14-16-26(32)17-15-25/h3-20H,2,21H2,1H3,(H,34,35)
InChIKeyNSLIBEXMJPOLHS-UHFFFAOYSA-N
XLogP8.55
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.09
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531033
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 94848957
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 98114884
4-(4-chlorophenyl)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 3127407
5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 17135045
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110840523
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 45054791
2-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110340022
2-chloro-6-ethoxy-4-[(Z)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781789
4-chloro-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110506076

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 73370116) is 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCOc1cc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is NSLIBEXMJPOLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O2S/c1-2-36-28-19-23(13-18-27(28)37-21-22-9-5-3-6-10-22)20-33-35-31-34-29(24-11-7-4-8-12-24)30(38-31)25-14-16-26(32)17-15-25/h3-20H,2,21H2,1H3,(H,34,35).
What are the key properties of 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 540.09 g/mol, XLogP of 8.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 73370116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).