1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H16N4O2S — CID 81405111

IUPAC1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESC[C@H](NCC(O)COc1cnsn1)c1cccnc1
InChIInChI=1S/C12H16N4O2S/c1-9(10-3-2-4-13-5-10)14-6-11(17)8-18-12-7-15-19-16-12/h2-5,7,9,11,14,17H,6,8H2,1H3/t9-,11?/m0/s1
InChIKeyBUADVPBWGTWHAW-FTNKSUMCSA-N
MW280.35 g/mol
LogP1.02
Rot. Bonds7

About 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 81405111) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID81405111
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESC[C@H](NCC(O)COc1cnsn1)c1cccnc1
InChIInChI=1S/C12H16N4O2S/c1-9(10-3-2-4-13-5-10)14-6-11(17)8-18-12-7-15-19-16-12/h2-5,7,9,11,14,17H,6,8H2,1H3/t9-,11?/m0/s1
InChIKeyBUADVPBWGTWHAW-FTNKSUMCSA-N
XLogP1.02
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81382477
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042
2-[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]-3-methylbutan-1-ol
CID 79249568
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291899
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 81405111) is 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is C[C@H](NCC(O)COc1cnsn1)c1cccnc1.
What is the InChIKey of 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is BUADVPBWGTWHAW-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(10-3-2-4-13-5-10)14-6-11(17)8-18-12-7-15-19-16-12/h2-5,7,9,11,14,17H,6,8H2,1H3/t9-,11?/m0/s1.
What are the key properties of 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 280.35 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 81405111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).