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

C10H15F4N3OS — CID 103476992

IUPACN-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(COCC(F)(F)C(F)F)ns1
InChIInChI=1S/C10H15F4N3OS/c1-6(2)3-15-9-16-7(17-19-9)4-18-5-10(13,14)8(11)12/h6,8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyJKQOFFAFJIPJCV-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.02
Rot. Bonds8

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

N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103476992) has the molecular formula C10H15F4N3OS and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103476992
Molecular FormulaC10H15F4N3OS
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC NameN-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(COCC(F)(F)C(F)F)ns1
InChIInChI=1S/C10H15F4N3OS/c1-6(2)3-15-9-16-7(17-19-9)4-18-5-10(13,14)8(11)12/h6,8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyJKQOFFAFJIPJCV-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine (CID 103476992) is N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(COCC(F)(F)C(F)F)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JKQOFFAFJIPJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N3OS/c1-6(2)3-15-9-16-7(17-19-9)4-18-5-10(13,14)8(11)12/h6,8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 301.31 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103476992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).