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

C7H2F10N2S — CID 6034814

IUPAC(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC1=NC(C(F)(F)F)(C(F)(F)F)/C(=C(\F)C(F)(F)F)S1
InChIInChI=1S/C7H2F10N2S/c8-1(5(9,10)11)2-4(6(12,13)14,7(15,16)17)19-3(18)20-2/h(H2,18,19)/b2-1+
InChIKeyOGELJEFHVDSCEV-OWOJBTEDSA-N
MW336.15 g/mol
LogP3.65
Rot. Bonds

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

(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 6034814) has the molecular formula C7H2F10N2S and a molecular weight of 336.15 g/mol. Its IUPAC name is (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID6034814
Molecular FormulaC7H2F10N2S
Molecular Weight336.15 g/mol
Exact Mass335.98
IUPAC Name(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC1=NC(C(F)(F)F)(C(F)(F)F)/C(=C(\F)C(F)(F)F)S1
InChIInChI=1S/C7H2F10N2S/c8-1(5(9,10)11)2-4(6(12,13)14,7(15,16)17)19-3(18)20-2/h(H2,18,19)/b2-1+
InChIKeyOGELJEFHVDSCEV-OWOJBTEDSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine (CID 6034814) is (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine is NC1=NC(C(F)(F)F)(C(F)(F)F)/C(=C(\F)C(F)(F)F)S1.
What is the InChIKey of (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OGELJEFHVDSCEV-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H2F10N2S/c8-1(5(9,10)11)2-4(6(12,13)14,7(15,16)17)19-3(18)20-2/h(H2,18,19)/b2-1+.
What are the key properties of (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 336.15 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6034814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).