N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C19H14FN5S — CID 168577342

IUPACN-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(-n2cccn2)c(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H14FN5S/c20-16-7-8-18(25-10-4-9-22-25)15(11-16)12-21-24-19-23-17(13-26-19)14-5-2-1-3-6-14/h1-13H,(H,23,24)
InChIKeySLFGCWAMLXLEPS-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.58
Rot. Bonds5

About N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577342) has the molecular formula C19H14FN5S and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577342
Molecular FormulaC19H14FN5S
Molecular Weight363.42 g/mol
Exact Mass363.10
IUPAC NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(-n2cccn2)c(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H14FN5S/c20-16-7-8-18(25-10-4-9-22-25)15(11-16)12-21-24-19-23-17(13-26-19)14-5-2-1-3-6-14/h1-13H,(H,23,24)
InChIKeySLFGCWAMLXLEPS-UHFFFAOYSA-N
XLogP4.58
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(2-ethynyl-5-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577669
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578871
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577440
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 4041883
N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578189
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
N-[[2-[(2,5-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576970
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577342) is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Fc1ccc(-n2cccn2)c(C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is SLFGCWAMLXLEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5S/c20-16-7-8-18(25-10-4-9-22-25)15(11-16)12-21-24-19-23-17(13-26-19)14-5-2-1-3-6-14/h1-13H,(H,23,24).
What are the key properties of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 363.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).