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

C18H13FN6S — CID 86580305

IUPAC4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C/c3ccc(-n4cncn4)cc3)n2)cc1
InChIInChI=1S/C18H13FN6S/c19-15-5-3-14(4-6-15)17-10-26-18(23-17)24-21-9-13-1-7-16(8-2-13)25-12-20-11-22-25/h1-12H,(H,23,24)/b21-9+
InChIKeyHISOARLHCDGLBH-ZVBGSRNCSA-N
MW364.41 g/mol
LogP3.98
Rot. Bonds5

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

4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 86580305) has the molecular formula C18H13FN6S and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID86580305
Molecular FormulaC18H13FN6S
Molecular Weight364.41 g/mol
Exact Mass364.09
IUPAC Name4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C/c3ccc(-n4cncn4)cc3)n2)cc1
InChIInChI=1S/C18H13FN6S/c19-15-5-3-14(4-6-15)17-10-26-18(23-17)24-21-9-13-1-7-16(8-2-13)25-12-20-11-22-25/h1-12H,(H,23,24)/b21-9+
InChIKeyHISOARLHCDGLBH-ZVBGSRNCSA-N
XLogP3.98
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.98
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

Talarozole
CID 9799888
(R)-Talarozole
CID 44421596
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1006911
4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2117094
N-(4-methylphenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2126026
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2202285
N-(4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
CID 1006908
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2084716
N-(4-methylphenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2086058
N-(4-methylphenyl)-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 4003717

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 86580305) is 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(N/N=C/c3ccc(-n4cncn4)cc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is HISOARLHCDGLBH-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H13FN6S/c19-15-5-3-14(4-6-15)17-10-26-18(23-17)24-21-9-13-1-7-16(8-2-13)25-12-20-11-22-25/h1-12H,(H,23,24)/b21-9+.
What are the key properties of 4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 364.41 g/mol, XLogP of 3.98, 5 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)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 86580305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).