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

C6H8F3N3OS — CID 66276601

IUPAC4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine
SMILESCC(OCc1nnsc1N)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c1-3(6(7,8)9)13-2-4-5(10)14-12-11-4/h3H,2,10H2,1H3
InChIKeyODIVXMBNQKDLTP-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.59
Rot. Bonds3

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

4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine (PubChem CID 66276601) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine
PubChem CID66276601
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine
SMILESCC(OCc1nnsc1N)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c1-3(6(7,8)9)13-2-4-5(10)14-12-11-4/h3H,2,10H2,1H3
InChIKeyODIVXMBNQKDLTP-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 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine (CID 66276601) is 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine is CC(OCc1nnsc1N)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine?
The InChIKey is ODIVXMBNQKDLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-3(6(7,8)9)13-2-4-5(10)14-12-11-4/h3H,2,10H2,1H3.
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine?
4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-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 4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 66276601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).