3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

C7H10F3N3S — CID 65271079

IUPAC3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3S/c1-2-3-5-12-6(14-13-5)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyCDQPDDBSKBRQSN-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.46
Rot. Bonds4

About 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271079) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271079
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3S/c1-2-3-5-12-6(14-13-5)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyCDQPDDBSKBRQSN-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 65271079) is 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCC(F)(F)F)n1.
What is the InChIKey of 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CDQPDDBSKBRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-2-3-5-12-6(14-13-5)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 225.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).