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

C10H16F3N5S — CID 107304468

IUPAC3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H16F3N5S/c11-10(12,13)8-15-9(19-16-8)18-6-4-17(5-7-18)3-1-2-14/h1-7,14H2
InChIKeyXMKRVTPXBAJJKI-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.03
Rot. Bonds4

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

3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine (PubChem CID 107304468) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
PubChem CID107304468
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC Name3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H16F3N5S/c11-10(12,13)8-15-9(19-16-8)18-6-4-17(5-7-18)3-1-2-14/h1-7,14H2
InChIKeyXMKRVTPXBAJJKI-UHFFFAOYSA-N
XLogP1.03
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine (CID 107304468) is 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
The InChIKey is XMKRVTPXBAJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c11-10(12,13)8-15-9(19-16-8)18-6-4-17(5-7-18)3-1-2-14/h1-7,14H2.
What are the key properties of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine?
3-[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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 107304468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).