2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine

C10H16F3N5S — CID 107304490

IUPAC2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H16F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-15-8(16-19-9)10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyIMKWMTWZLGZYJW-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.03
Rot. Bonds3

About 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine

2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine (PubChem CID 107304490) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
PubChem CID107304490
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H16F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-15-8(16-19-9)10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyIMKWMTWZLGZYJW-UHFFFAOYSA-N
XLogP1.03
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine (CID 107304490) is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
The InChIKey is IMKWMTWZLGZYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-15-8(16-19-9)10(11,12)13/h7H,2-6,14H2,1H3.
What are the key properties of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 107304490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).