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

C22H17FN2S — CID 2741188

IUPAC4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H17FN2S/c1-15-21(25-22(26-15)24-18-7-3-2-4-8-18)17-13-11-16(12-14-17)19-9-5-6-10-20(19)23/h2-14H,1H3,(H,24,25)
InChIKeyWSCQNFGYMSPUFR-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.67
Rot. Bonds4

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

4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2741188) has the molecular formula C22H17FN2S and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine
PubChem CID2741188
Molecular FormulaC22H17FN2S
Molecular Weight360.46 g/mol
Exact Mass360.11
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H17FN2S/c1-15-21(25-22(26-15)24-18-7-3-2-4-8-18)17-13-11-16(12-14-17)19-9-5-6-10-20(19)23/h2-14H,1H3,(H,24,25)
InChIKeyWSCQNFGYMSPUFR-UHFFFAOYSA-N
XLogP6.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine (CID 2741188) is 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine is Cc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is WSCQNFGYMSPUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2S/c1-15-21(25-22(26-15)24-18-7-3-2-4-8-18)17-13-11-16(12-14-17)19-9-5-6-10-20(19)23/h2-14H,1H3,(H,24,25).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine?
4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 360.46 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2741188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).