4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine

C19H14F2N6S — CID 66572646

IUPAC4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
SMILESFc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C19H14F2N6S/c20-15-5-1-13(2-6-15)17(9-27-12-22-11-23-27)25-26-19-24-18(10-28-19)14-3-7-16(21)8-4-14/h1-8,10-12H,9H2,(H,24,26)/b25-17-
InChIKeyXLWYEFRZKHIRQY-UQQQWYQISA-N
MW396.43 g/mol
LogP4.20
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine (PubChem CID 66572646) has the molecular formula C19H14F2N6S and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
PubChem CID66572646
Molecular FormulaC19H14F2N6S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
SMILESFc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C19H14F2N6S/c20-15-5-1-13(2-6-15)17(9-27-12-22-11-23-27)25-26-19-24-18(10-28-19)14-3-7-16(21)8-4-14/h1-8,10-12H,9H2,(H,24,26)/b25-17-
InChIKeyXLWYEFRZKHIRQY-UQQQWYQISA-N
XLogP4.20
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
CID 66572887
N-[(Z)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 177450317
N-[(E)-[2-(benzotriazol-1-yl)-1-(4-nitrophenyl)ethylidene]amino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 70689869
N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 6371982
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine (CID 66572646) is 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine is Fc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
The InChIKey is XLWYEFRZKHIRQY-UQQQWYQISA-N. The full InChI is InChI=1S/C19H14F2N6S/c20-15-5-1-13(2-6-15)17(9-27-12-22-11-23-27)25-26-19-24-18(10-28-19)14-3-7-16(21)8-4-14/h1-8,10-12H,9H2,(H,24,26)/b25-17-.
What are the key properties of 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine has a molecular weight of 396.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(E)-[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 66572646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).