N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine

C24H20F4N2O2S — CID 154237285

IUPACN-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine
SMILESFC(F)Oc1ccc(CN2CC(Nc3ccc(OC(F)F)cc3)=C(c3ccccc3)S2)cc1
InChIInChI=1S/C24H20F4N2O2S/c25-23(26)31-19-10-6-16(7-11-19)14-30-15-21(22(33-30)17-4-2-1-3-5-17)29-18-8-12-20(13-9-18)32-24(27)28/h1-13,23-24,29H,14-15H2
InChIKeyPOEXHZPOEWXYLF-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.83
Rot. Bonds9

About N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine

N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine (PubChem CID 154237285) has the molecular formula C24H20F4N2O2S and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine
PubChem CID154237285
Molecular FormulaC24H20F4N2O2S
Molecular Weight476.50 g/mol
Exact Mass476.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine
SMILESFC(F)Oc1ccc(CN2CC(Nc3ccc(OC(F)F)cc3)=C(c3ccccc3)S2)cc1
InChIInChI=1S/C24H20F4N2O2S/c25-23(26)31-19-10-6-16(7-11-19)14-30-15-21(22(33-30)17-4-2-1-3-5-17)29-18-8-12-20(13-9-18)32-24(27)28/h1-13,23-24,29H,14-15H2
InChIKeyPOEXHZPOEWXYLF-UHFFFAOYSA-N
XLogP6.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine
CID 141146072
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
2-[[4-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162636334
3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione
CID 71416744
N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 8660250
3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline
CID 174835611
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7819637
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553645
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
(3R)-1-benzyl-N-[4-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8502653

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine (CID 154237285) is N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine is FC(F)Oc1ccc(CN2CC(Nc3ccc(OC(F)F)cc3)=C(c3ccccc3)S2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine?
The InChIKey is POEXHZPOEWXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2S/c25-23(26)31-19-10-6-16(7-11-19)14-30-15-21(22(33-30)17-4-2-1-3-5-17)29-18-8-12-20(13-9-18)32-24(27)28/h1-13,23-24,29H,14-15H2.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine?
N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine has a molecular weight of 476.50 g/mol, XLogP of 6.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine is sourced from PubChem (CID 154237285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).