N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine

C23H18ClN3S — CID 45045946

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine
SMILESC/C(=N\N(c1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3S/c1-17(18-12-14-20(24)15-13-18)26-27(21-10-6-3-7-11-21)23-25-22(16-28-23)19-8-4-2-5-9-19/h2-16H,1H3/b26-17+
InChIKeyCNUOVIYTHDKFKJ-YZSQISJMSA-N
MW403.94 g/mol
LogP7.03
Rot. Bonds5

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine (PubChem CID 45045946) has the molecular formula C23H18ClN3S and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine
PubChem CID45045946
Molecular FormulaC23H18ClN3S
Molecular Weight403.94 g/mol
Exact Mass403.09
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine
SMILESC/C(=N\N(c1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3S/c1-17(18-12-14-20(24)15-13-18)26-27(21-10-6-3-7-11-21)23-25-22(16-28-23)19-8-4-2-5-9-19/h2-16H,1H3/b26-17+
InChIKeyCNUOVIYTHDKFKJ-YZSQISJMSA-N
XLogP7.03
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.94
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine (CID 45045946) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine is C/C(=N\N(c1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine?
The InChIKey is CNUOVIYTHDKFKJ-YZSQISJMSA-N. The full InChI is InChI=1S/C23H18ClN3S/c1-17(18-12-14-20(24)15-13-18)26-27(21-10-6-3-7-11-21)23-25-22(16-28-23)19-8-4-2-5-9-19/h2-16H,1H3/b26-17+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine has a molecular weight of 403.94 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 45045946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).