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

C7H4F9N3S — CID 15039027

IUPAC(5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC1=NC(C(F)(F)F)(C(F)(F)F)/C(=C(\N)C(F)(F)F)S1
InChIInChI=1S/C7H4F9N3S/c8-5(9,10)1(17)2-4(6(11,12)13,7(14,15)16)19-3(18)20-2/h17H2,(H2,18,19)/b2-1+
InChIKeyOUQLZWUXNFKRLQ-OWOJBTEDSA-N
MW333.18 g/mol
LogP2.64
Rot. Bonds

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

(5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 15039027) has the molecular formula C7H4F9N3S and a molecular weight of 333.18 g/mol. Its IUPAC name is (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID15039027
Molecular FormulaC7H4F9N3S
Molecular Weight333.18 g/mol
Exact Mass333.00
IUPAC Name(5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC1=NC(C(F)(F)F)(C(F)(F)F)/C(=C(\N)C(F)(F)F)S1
InChIInChI=1S/C7H4F9N3S/c8-5(9,10)1(17)2-4(6(11,12)13,7(14,15)16)19-3(18)20-2/h17H2,(H2,18,19)/b2-1+
InChIKeyOUQLZWUXNFKRLQ-OWOJBTEDSA-N
XLogP2.64
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4E)-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-1,3-thiazol-2-amine
CID 12139965
2-Imino-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-1,3-thiazolidine
CID 4200411
4,5-Dihydro-5-(tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-2-thiazolamine
CID 6034814
2-Amino-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-4,5-dihydrothiazole
CID 129742168
4-Fluoro-4-(trifluoromethyl)-5-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-4,5-dihydro-1,3-thiazol-2-amine
CID 91739874
(5Z)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
CID 88403291
(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 162565608

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine (CID 15039027) is (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine is NC1=NC(C(F)(F)F)(C(F)(F)F)/C(=C(\N)C(F)(F)F)S1.
What is the InChIKey of (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OUQLZWUXNFKRLQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H4F9N3S/c8-5(9,10)1(17)2-4(6(11,12)13,7(14,15)16)19-3(18)20-2/h17H2,(H2,18,19)/b2-1+.
What are the key properties of (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
(5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 333.18 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-amino-2,2,2-trifluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15039027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).