4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine

C21H13F3N2S — CID 10177932

IUPAC4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(F)c1F
InChIInChI=1S/C21H13F3N2S/c22-16-10-11-17(20(24)19(16)23)25-21-26-18(12-27-21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,25,26)
InChIKeyOHNJJZCOSUUGPR-UHFFFAOYSA-N
MW382.41 g/mol
LogP6.64
Rot. Bonds4

About 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine

4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine (PubChem CID 10177932) has the molecular formula C21H13F3N2S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine
PubChem CID10177932
Molecular FormulaC21H13F3N2S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC Name4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(F)c1F
InChIInChI=1S/C21H13F3N2S/c22-16-10-11-17(20(24)19(16)23)25-21-26-18(12-27-21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,25,26)
InChIKeyOHNJJZCOSUUGPR-UHFFFAOYSA-N
XLogP6.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
2-(2,3,4-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 79023733
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 58910744
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 2959231
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]benzonitrile
CID 153365704
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine (CID 10177932) is 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(F)c1F.
What is the InChIKey of 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is OHNJJZCOSUUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2S/c22-16-10-11-17(20(24)19(16)23)25-21-26-18(12-27-21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,25,26).
What are the key properties of 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine?
4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 382.41 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10177932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).