N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine

C22H14Cl2N4O2S — CID 94848933

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccc(-c2sc(N/N=C\c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H14Cl2N4O2S/c23-17-9-6-16(19(24)12-17)13-25-27-22-26-20(14-4-2-1-3-5-14)21(31-22)15-7-10-18(11-8-15)28(29)30/h1-13H,(H,26,27)/b25-13-
InChIKeyLSJUHKDJNOEHIP-MXAYSNPKSA-N
MW469.35 g/mol
LogP7.14
Rot. Bonds6

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 94848933) has the molecular formula C22H14Cl2N4O2S and a molecular weight of 469.35 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID94848933
Molecular FormulaC22H14Cl2N4O2S
Molecular Weight469.35 g/mol
Exact Mass468.02
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccc(-c2sc(N/N=C\c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H14Cl2N4O2S/c23-17-9-6-16(19(24)12-17)13-25-27-22-26-20(14-4-2-1-3-5-14)21(31-22)15-7-10-18(11-8-15)28(29)30/h1-13H,(H,26,27)/b25-13-
InChIKeyLSJUHKDJNOEHIP-MXAYSNPKSA-N
XLogP7.14
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.35
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 98114884
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
methyl 2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 3258589
4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 94848941
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 27315818
2,4-dichloro-N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 126057492
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitroaniline
CID 6174360
4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
CID 93005804
1,1,1-trifluoro-N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]methanesulfonamide
CID 15838552
5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 17135045

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine (CID 94848933) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine is O=[N+]([O-])c1ccc(-c2sc(N/N=C\c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LSJUHKDJNOEHIP-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H14Cl2N4O2S/c23-17-9-6-16(19(24)12-17)13-25-27-22-26-20(14-4-2-1-3-5-14)21(31-22)15-7-10-18(11-8-15)28(29)30/h1-13H,(H,26,27)/b25-13-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 469.35 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 94848933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).