N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine

C20H16F2N4S — CID 42529390

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
SMILESFc1ccc(-c2[nH]ncc2CNCc2csc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C20H16F2N4S/c21-15-6-7-17(18(22)8-15)19-14(10-24-26-19)9-23-11-16-12-27-20(25-16)13-4-2-1-3-5-13/h1-8,10,12,23H,9,11H2,(H,24,26)
InChIKeyNRMRJLZXPJXMRR-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.77
Rot. Bonds6

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine (PubChem CID 42529390) has the molecular formula C20H16F2N4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
PubChem CID42529390
Molecular FormulaC20H16F2N4S
Molecular Weight382.44 g/mol
Exact Mass382.11
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
SMILESFc1ccc(-c2[nH]ncc2CNCc2csc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C20H16F2N4S/c21-15-6-7-17(18(22)8-15)19-14(10-24-26-19)9-23-11-16-12-27-20(25-16)13-4-2-1-3-5-13/h1-8,10,12,23H,9,11H2,(H,24,26)
InChIKeyNRMRJLZXPJXMRR-UHFFFAOYSA-N
XLogP4.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 90124709
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 31043834
1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 29151930
1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
CID 45200383
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 110901257
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 45169458
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988515
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 43407819

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine (CID 42529390) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine is Fc1ccc(-c2[nH]ncc2CNCc2csc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is NRMRJLZXPJXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4S/c21-15-6-7-17(18(22)8-15)19-14(10-24-26-19)9-23-11-16-12-27-20(25-16)13-4-2-1-3-5-13/h1-8,10,12,23H,9,11H2,(H,24,26).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 382.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 42529390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).