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

C15H12F2N2S — CID 63182910

IUPACN-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(F)cc(NC2=NC(c3ccccc3)CS2)c1
InChIInChI=1S/C15H12F2N2S/c16-11-6-12(17)8-13(7-11)18-15-19-14(9-20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyVVOVGGCBZHJVBX-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.22
Rot. Bonds2

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

N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63182910) has the molecular formula C15H12F2N2S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63182910
Molecular FormulaC15H12F2N2S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(F)cc(NC2=NC(c3ccccc3)CS2)c1
InChIInChI=1S/C15H12F2N2S/c16-11-6-12(17)8-13(7-11)18-15-19-14(9-20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyVVOVGGCBZHJVBX-UHFFFAOYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63182910) is N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(F)cc(NC2=NC(c3ccccc3)CS2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VVOVGGCBZHJVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2S/c16-11-6-12(17)8-13(7-11)18-15-19-14(9-20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19).
What are the key properties of N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 290.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).