4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine

C15H10F2N2S — CID 62076324

IUPAC4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1-c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2S/c16-10-6-7-11(12(17)8-10)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyCUYYNNRRVLCITO-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.34
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine

4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine (PubChem CID 62076324) has the molecular formula C15H10F2N2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine
PubChem CID62076324
Molecular FormulaC15H10F2N2S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1-c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2S/c16-10-6-7-11(12(17)8-10)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyCUYYNNRRVLCITO-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine (CID 62076324) is 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine is Nc1sc(-c2ccccc2)nc1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine?
The InChIKey is CUYYNNRRVLCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2S/c16-10-6-7-11(12(17)8-10)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine?
4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine has a molecular weight of 288.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62076324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).