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

C11H17F3N4OS — CID 107305699

IUPAC2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4OS/c1-10(2,19)7-17-3-5-18(6-4-17)9-15-8(16-20-9)11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyRDDBZAJLDINWFW-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.45
Rot. Bonds3

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

2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol (PubChem CID 107305699) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
PubChem CID107305699
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4OS/c1-10(2,19)7-17-3-5-18(6-4-17)9-15-8(16-20-9)11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyRDDBZAJLDINWFW-UHFFFAOYSA-N
XLogP1.45
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305701
2-Methyl-1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305716
1-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol
CID 107305718
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305736
3-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 109968048
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanol
CID 113944082
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboximidamide
CID 120054236
1,1,1-Trifluoro-2-methyl-3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-2-ol
CID 121536201
(2R)-1,1,1-trifluoro-2-methyl-3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-2-ol
CID 124874570
(2S)-1,1,1-trifluoro-2-methyl-3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-2-ol
CID 124874572
3-Tert-butyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133519451
[1-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-yl]methanol
CID 137888303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol (CID 107305699) is 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol is CC(C)(O)CN1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is RDDBZAJLDINWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-10(2,19)7-17-3-5-18(6-4-17)9-15-8(16-20-9)11(12,13)14/h19H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 310.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 107305699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).