4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine

C5H2F6N2S2 — CID 15710710

IUPAC4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(SC(F)(F)F)s1
InChIInChI=1S/C5H2F6N2S2/c6-4(7,8)1-2(14-3(12)13-1)15-5(9,10)11/h(H2,12,13)
InChIKeyBBHNDKSBMSSQCF-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.36
Rot. Bonds1

About 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine

4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 15710710) has the molecular formula C5H2F6N2S2 and a molecular weight of 268.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID15710710
Molecular FormulaC5H2F6N2S2
Molecular Weight268.21 g/mol
Exact Mass267.96
IUPAC Name4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(SC(F)(F)F)s1
InChIInChI=1S/C5H2F6N2S2/c6-4(7,8)1-2(14-3(12)13-1)15-5(9,10)11/h(H2,12,13)
InChIKeyBBHNDKSBMSSQCF-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine (CID 15710710) is 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine is Nc1nc(C(F)(F)F)c(SC(F)(F)F)s1.
What is the InChIKey of 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is BBHNDKSBMSSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2S2/c6-4(7,8)1-2(14-3(12)13-1)15-5(9,10)11/h(H2,12,13).
What are the key properties of 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 268.21 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15710710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).