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

C20H19FN4S — CID 168576719

IUPACN-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFc1cc(N2CCCC2)ccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H19FN4S/c21-18-12-17(25-10-4-5-11-25)9-8-16(18)13-22-24-20-23-19(14-26-20)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,23,24)
InChIKeyZXPRCBYBEUFOPN-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.00
Rot. Bonds5

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

N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168576719) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168576719
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC NameN-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFc1cc(N2CCCC2)ccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H19FN4S/c21-18-12-17(25-10-4-5-11-25)9-8-16(18)13-22-24-20-23-19(14-26-20)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,23,24)
InChIKeyZXPRCBYBEUFOPN-UHFFFAOYSA-N
XLogP5.00
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382349
N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577440
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577812
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
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-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577365
2-bromo-3-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577518
tert-butyl 3-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 168577943
4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577813

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168576719) is N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Fc1cc(N2CCCC2)ccc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZXPRCBYBEUFOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c21-18-12-17(25-10-4-5-11-25)9-8-16(18)13-22-24-20-23-19(14-26-20)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,23,24).
What are the key properties of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 366.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168576719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).