5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine

C9H6F6N4S2 — CID 133491940

IUPAC5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1csc(CCNc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H6F6N4S2/c10-8(11,12)4-3-20-5(17-4)1-2-16-7-19-18-6(21-7)9(13,14)15/h3H,1-2H2,(H,16,19)
InChIKeyIUIWRKALZCYPHE-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.69
Rot. Bonds4

About 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine

5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133491940) has the molecular formula C9H6F6N4S2 and a molecular weight of 348.30 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133491940
Molecular FormulaC9H6F6N4S2
Molecular Weight348.30 g/mol
Exact Mass347.99
IUPAC Name5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1csc(CCNc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H6F6N4S2/c10-8(11,12)4-3-20-5(17-4)1-2-16-7-19-18-6(21-7)9(13,14)15/h3H,1-2H2,(H,16,19)
InChIKeyIUIWRKALZCYPHE-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 133491940) is 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1csc(CCNc2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IUIWRKALZCYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N4S2/c10-8(11,12)4-3-20-5(17-4)1-2-16-7-19-18-6(21-7)9(13,14)15/h3H,1-2H2,(H,16,19).
What are the key properties of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine?
5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 348.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133491940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).