1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H20N4O2S — CID 60909284

IUPAC1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCN1CCC(NCC(O)COc2cnsn2)CC1
InChIInChI=1S/C11H20N4O2S/c1-15-4-2-9(3-5-15)12-6-10(16)8-17-11-7-13-18-14-11/h7,9-10,12,16H,2-6,8H2,1H3
InChIKeyCYUSDIOVUYSUDA-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.04
Rot. Bonds6

About 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60909284) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60909284
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCN1CCC(NCC(O)COc2cnsn2)CC1
InChIInChI=1S/C11H20N4O2S/c1-15-4-2-9(3-5-15)12-6-10(16)8-17-11-7-13-18-14-11/h7,9-10,12,16H,2-6,8H2,1H3
InChIKeyCYUSDIOVUYSUDA-UHFFFAOYSA-N
XLogP-0.04
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114503518
1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107852038
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83036263
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60909284) is 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CN1CCC(NCC(O)COc2cnsn2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is CYUSDIOVUYSUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-4-2-9(3-5-15)12-6-10(16)8-17-11-7-13-18-14-11/h7,9-10,12,16H,2-6,8H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 272.37 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60909284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).