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

C16H14F2N2S — CID 103586627

IUPACN-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(F)c(NC2=NC(c3ccccc3)CS2)cc1F
InChIInChI=1S/C16H14F2N2S/c1-10-7-13(18)14(8-12(10)17)19-16-20-15(9-21-16)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyRXWIZUVLIZMQCF-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.53
Rot. Bonds2

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

N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 103586627) has the molecular formula C16H14F2N2S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID103586627
Molecular FormulaC16H14F2N2S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(F)c(NC2=NC(c3ccccc3)CS2)cc1F
InChIInChI=1S/C16H14F2N2S/c1-10-7-13(18)14(8-12(10)17)19-16-20-15(9-21-16)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyRXWIZUVLIZMQCF-UHFFFAOYSA-N
XLogP4.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 103586627) is N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(F)c(NC2=NC(c3ccccc3)CS2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RXWIZUVLIZMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2S/c1-10-7-13(18)14(8-12(10)17)19-16-20-15(9-21-16)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3,(H,19,20).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 304.37 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 103586627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).