N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine

C16H11ClFN3S — CID 5230567

IUPACN-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H11ClFN3S/c17-14-4-2-1-3-12(14)9-19-21-16-20-15(10-22-16)11-5-7-13(18)8-6-11/h1-10H,(H,20,21)
InChIKeyZUQZVMPGNBGPBT-UHFFFAOYSA-N
MW331.80 g/mol
LogP5.05
Rot. Bonds4

About N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine

N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 5230567) has the molecular formula C16H11ClFN3S and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID5230567
Molecular FormulaC16H11ClFN3S
Molecular Weight331.80 g/mol
Exact Mass331.03
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H11ClFN3S/c17-14-4-2-1-3-12(14)9-19-21-16-20-15(10-22-16)11-5-7-13(18)8-6-11/h1-10H,(H,20,21)
InChIKeyZUQZVMPGNBGPBT-UHFFFAOYSA-N
XLogP5.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.80
LogP ≤ 55.05
H-Bond Donors ≤ 51
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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Related Compounds

4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
4-(4-bromophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6291023
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 73385550
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579175
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 5230567) is N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is ZUQZVMPGNBGPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3S/c17-14-4-2-1-3-12(14)9-19-21-16-20-15(10-22-16)11-5-7-13(18)8-6-11/h1-10H,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 331.80 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 5230567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).