5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine

C10H16F3N3S — CID 107648125

IUPAC5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)CCCC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-3-8-15-16-9(17-8)14-7(2)5-4-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyBQMQHDAMCRAUTQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.63
Rot. Bonds6

About 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine

5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648125) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648125
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)CCCC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-3-8-15-16-9(17-8)14-7(2)5-4-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyBQMQHDAMCRAUTQ-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine (CID 107648125) is 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)CCCC(F)(F)F)s1.
What is the InChIKey of 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BQMQHDAMCRAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-8-15-16-9(17-8)14-7(2)5-4-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).