[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol

C11H19N3OS — CID 65275388

IUPAC[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol
SMILESCC(C)c1nsc(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)10-12-11(16-13-10)14-5-3-9(7-15)4-6-14/h8-9,15H,3-7H2,1-2H3
InChIKeyCZJFQDOJOBXBQX-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.87
Rot. Bonds3

About [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol

[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol (PubChem CID 65275388) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol
PubChem CID65275388
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol
SMILESCC(C)c1nsc(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)10-12-11(16-13-10)14-5-3-9(7-15)4-6-14/h8-9,15H,3-7H2,1-2H3
InChIKeyCZJFQDOJOBXBQX-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46988283
[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 96081193
[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
[1-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
CID 136514582
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
CID 107305669
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
CID 107305758
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanol
CID 113944086
4-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 113944092
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 138041764
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidine
CID 145914163
4-(Difluoromethyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 166603160
4-(Fluoromethyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 166603165

Frequently Asked Questions

What is the IUPAC name of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol (CID 65275388) is [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol is CC(C)c1nsc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol?
The InChIKey is CZJFQDOJOBXBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)10-12-11(16-13-10)14-5-3-9(7-15)4-6-14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol?
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 65275388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).