N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H14F3N3OS — CID 107305207

IUPACN-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-4-16-8(2,3)5-13-7-14-6(15-17-7)9(10,11)12/h4-5H2,1-3H3,(H,13,14,15)
InChIKeyYVIZHVWPENZKGA-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.78
Rot. Bonds5

About N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305207) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305207
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC NameN-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-4-16-8(2,3)5-13-7-14-6(15-17-7)9(10,11)12/h4-5H2,1-3H3,(H,13,14,15)
InChIKeyYVIZHVWPENZKGA-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305207) is N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCOC(C)(C)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YVIZHVWPENZKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-4-16-8(2,3)5-13-7-14-6(15-17-7)9(10,11)12/h4-5H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 269.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).