5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

C6H8F3N3OS — CID 80613733

IUPAC5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(OCc1nnc(N)s1)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c1-3(6(7,8)9)13-2-4-11-12-5(10)14-4/h3H,2H2,1H3,(H2,10,12)
InChIKeyICKGWCALUVDGLQ-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.59
Rot. Bonds3

About 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80613733) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80613733
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(OCc1nnc(N)s1)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c1-3(6(7,8)9)13-2-4-11-12-5(10)14-4/h3H,2H2,1H3,(H2,10,12)
InChIKeyICKGWCALUVDGLQ-UHFFFAOYSA-N
XLogP1.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 80613733) is 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is CC(OCc1nnc(N)s1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ICKGWCALUVDGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-3(6(7,8)9)13-2-4-11-12-5(10)14-4/h3H,2H2,1H3,(H2,10,12).
What are the key properties of 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 227.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).