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

C11H8F4N2OS — CID 57381908

IUPAC4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(OC(F)(F)C(F)F)s1
InChIInChI=1S/C11H8F4N2OS/c12-9(13)11(14,15)18-8-7(17-10(16)19-8)6-4-2-1-3-5-6/h1-5,9H,(H2,16,17)
InChIKeyATPZXARIFMIMIC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.63
Rot. Bonds4

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

4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine (PubChem CID 57381908) has the molecular formula C11H8F4N2OS and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine
PubChem CID57381908
Molecular FormulaC11H8F4N2OS
Molecular Weight292.26 g/mol
Exact Mass292.03
IUPAC Name4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(OC(F)(F)C(F)F)s1
InChIInChI=1S/C11H8F4N2OS/c12-9(13)11(14,15)18-8-7(17-10(16)19-8)6-4-2-1-3-5-6/h1-5,9H,(H2,16,17)
InChIKeyATPZXARIFMIMIC-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine
CID 123206228
5-(1,1-difluoroethyl)-4-phenyl-1,3-thiazol-2-amine
CID 83853866
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115623
5-methylsulfonyl-4-phenyl-1,3-thiazol-2-amine
CID 26597941
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
5-[(2-fluorophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
CID 135672336
(2-amino-4-phenyl-1,3-thiazol-5-yl) thiocyanate
CID 687958
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine (CID 57381908) is 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(OC(F)(F)C(F)F)s1.
What is the InChIKey of 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine?
The InChIKey is ATPZXARIFMIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2OS/c12-9(13)11(14,15)18-8-7(17-10(16)19-8)6-4-2-1-3-5-6/h1-5,9H,(H2,16,17).
What are the key properties of 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine?
4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine has a molecular weight of 292.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazol-2-amine is sourced from PubChem (CID 57381908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).