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

C10H16F3N5S — CID 114449515

IUPAC2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H16F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-16-15-8(19-9)10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyMSEBHOFEYMMDFU-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.03
Rot. Bonds3

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

2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine (PubChem CID 114449515) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine
PubChem CID114449515
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC Name2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H16F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-16-15-8(19-9)10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyMSEBHOFEYMMDFU-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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Related Compounds

Piperazine, 1-methyl-4-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
CID 748107
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 2146069
2-Piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 2146068
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
1-(Propan-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
CID 59332252
2-(2-Fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 91185687
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558
2-(4-Methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 3433177
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride
CID 75481478
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine (CID 114449515) is 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine?
The InChIKey is MSEBHOFEYMMDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-16-15-8(19-9)10(11,12)13/h7H,2-6,14H2,1H3.
What are the key properties of 2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine?
2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 114449515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).