(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C7H5F7N2S — CID 162565608

IUPAC(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC1(C(F)(F)F)N=C(N)S/C1=C(/F)C(F)(F)F
InChIInChI=1S/C7H5F7N2S/c1-5(7(12,13)14)3(17-4(15)16-5)2(8)6(9,10)11/h1H3,(H2,15,16)/b3-2+
InChIKeyUTKXIXIMRCIIHV-NSCUHMNNSA-N
MW282.18 g/mol
LogP3.11
Rot. Bonds

About (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine

(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 162565608) has the molecular formula C7H5F7N2S and a molecular weight of 282.18 g/mol. Its IUPAC name is (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID162565608
Molecular FormulaC7H5F7N2S
Molecular Weight282.18 g/mol
Exact Mass282.01
IUPAC Name(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC1(C(F)(F)F)N=C(N)S/C1=C(/F)C(F)(F)F
InChIInChI=1S/C7H5F7N2S/c1-5(7(12,13)14)3(17-4(15)16-5)2(8)6(9,10)11/h1H3,(H2,15,16)/b3-2+
InChIKeyUTKXIXIMRCIIHV-NSCUHMNNSA-N
XLogP3.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 162565608) is (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC1(C(F)(F)F)N=C(N)S/C1=C(/F)C(F)(F)F.
What is the InChIKey of (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is UTKXIXIMRCIIHV-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H5F7N2S/c1-5(7(12,13)14)3(17-4(15)16-5)2(8)6(9,10)11/h1H3,(H2,15,16)/b3-2+.
What are the key properties of (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 282.18 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162565608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).