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

C12H20F2N4OS — CID 138019287

IUPAC2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol
SMILESCC(C)c1nsc(N2CCN(CC(F)(F)CO)CC2)n1
InChIInChI=1S/C12H20F2N4OS/c1-9(2)10-15-11(20-16-10)18-5-3-17(4-6-18)7-12(13,14)8-19/h9,19H,3-8H2,1-2H3
InChIKeyOAAAQANOVARLCL-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.41
Rot. Bonds5

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

2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol (PubChem CID 138019287) has the molecular formula C12H20F2N4OS and a molecular weight of 306.38 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol
PubChem CID138019287
Molecular FormulaC12H20F2N4OS
Molecular Weight306.38 g/mol
Exact Mass306.13
IUPAC Name2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol
SMILESCC(C)c1nsc(N2CCN(CC(F)(F)CO)CC2)n1
InChIInChI=1S/C12H20F2N4OS/c1-9(2)10-15-11(20-16-10)18-5-3-17(4-6-18)7-12(13,14)8-19/h9,19H,3-8H2,1-2H3
InChIKeyOAAAQANOVARLCL-UHFFFAOYSA-N
XLogP1.41
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 107305699
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305730
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305740
2-[2,2-Difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484111
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484411
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboximidamide
CID 109524839
(2S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976999
3-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 112272147
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
5-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133328684
3-(2-Methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133369769

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol (CID 138019287) is 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol is CC(C)c1nsc(N2CCN(CC(F)(F)CO)CC2)n1.
What is the InChIKey of 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is OAAAQANOVARLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4OS/c1-9(2)10-15-11(20-16-10)18-5-3-17(4-6-18)7-12(13,14)8-19/h9,19H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol?
2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 306.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 138019287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).