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

C12H7F7N2S — CID 123206228

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(C(F)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C12H7F7N2S/c13-10(11(14,15)16,12(17,18)19)8-7(21-9(20)22-8)6-4-2-1-3-5-6/h1-5H,(H2,20,21)
InChIKeyQGFDSZZUFIJPPJ-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.68
Rot. Bonds2

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

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 123206228) has the molecular formula C12H7F7N2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID123206228
Molecular FormulaC12H7F7N2S
Molecular Weight344.26 g/mol
Exact Mass344.02
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(C(F)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C12H7F7N2S/c13-10(11(14,15)16,12(17,18)19)8-7(21-9(20)22-8)6-4-2-1-3-5-6/h1-5H,(H2,20,21)
InChIKeyQGFDSZZUFIJPPJ-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-difluoroethyl)-4-phenyl-1,3-thiazol-2-amine
CID 83853866
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine
CID 57381908
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
(2-amino-4-phenyl-1,3-thiazol-5-yl) thiocyanate
CID 687958
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
5-methylsulfonyl-4-phenyl-1,3-thiazol-2-amine
CID 26597941
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
5-[(2-fluorophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
CID 135672336
[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
CID 58020796
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine (CID 123206228) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(C(F)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is QGFDSZZUFIJPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F7N2S/c13-10(11(14,15)16,12(17,18)19)8-7(21-9(20)22-8)6-4-2-1-3-5-6/h1-5H,(H2,20,21).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 344.26 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123206228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).