N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C15H10F3N3S — CID 143328866

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C(F)F
InChIInChI=1S/C15H10F3N3S/c16-12-4-3-10(6-11(12)14(17)18)20-15-21-13(8-22-15)9-2-1-5-19-7-9/h1-8,14H,(H,20,21)
InChIKeyZMPKWXFKKMHXPF-UHFFFAOYSA-N
MW321.33 g/mol
LogP5.03
Rot. Bonds4

About N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 143328866) has the molecular formula C15H10F3N3S and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID143328866
Molecular FormulaC15H10F3N3S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C(F)F
InChIInChI=1S/C15H10F3N3S/c16-12-4-3-10(6-11(12)14(17)18)20-15-21-13(8-22-15)9-2-1-5-19-7-9/h1-8,14H,(H,20,21)
InChIKeyZMPKWXFKKMHXPF-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 87078195
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7086340
N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791691
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791509

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 143328866) is N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C(F)F.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is ZMPKWXFKKMHXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3S/c16-12-4-3-10(6-11(12)14(17)18)20-15-21-13(8-22-15)9-2-1-5-19-7-9/h1-8,14H,(H,20,21).
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 321.33 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 143328866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).