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

C11H20N4OS — CID 136514582

IUPAC[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
SMILESCN(C)c1nc(CN2CCC(CO)CC2)ns1
InChIInChI=1S/C11H20N4OS/c1-14(2)11-12-10(13-17-11)7-15-5-3-9(8-16)4-6-15/h9,16H,3-8H2,1-2H3
InChIKeySZXIDSZGOROPSM-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.81
Rot. Bonds4

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

[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 136514582) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
PubChem CID136514582
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
SMILESCN(C)c1nc(CN2CCC(CO)CC2)ns1
InChIInChI=1S/C11H20N4OS/c1-14(2)11-12-10(13-17-11)7-15-5-3-9(8-16)4-6-15/h9,16H,3-8H2,1-2H3
InChIKeySZXIDSZGOROPSM-UHFFFAOYSA-N
XLogP0.81
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943983
3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 75472710
3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine;hydrochloride
CID 86809066
3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 18984635
[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
[1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 62176993
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol (CID 136514582) is [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol is CN(C)c1nc(CN2CCC(CO)CC2)ns1.
What is the InChIKey of [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is SZXIDSZGOROPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-14(2)11-12-10(13-17-11)7-15-5-3-9(8-16)4-6-15/h9,16H,3-8H2,1-2H3.
What are the key properties of [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol?
[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 256.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 136514582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).