1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol

C12H17N3O2S2 — CID 63291899

IUPAC1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
SMILESCC(Cc1cccs1)NCC(O)COc1cnsn1
InChIInChI=1S/C12H17N3O2S2/c1-9(5-11-3-2-4-18-11)13-6-10(16)8-17-12-7-14-19-15-12/h2-4,7,9-10,13,16H,5-6,8H2,1H3
InChIKeyISRYQWOTAVSQIU-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.56
Rot. Bonds8

About 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol

1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol (PubChem CID 63291899) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
PubChem CID63291899
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
SMILESCC(Cc1cccs1)NCC(O)COc1cnsn1
InChIInChI=1S/C12H17N3O2S2/c1-9(5-11-3-2-4-18-11)13-6-10(16)8-17-12-7-14-19-15-12/h2-4,7,9-10,13,16H,5-6,8H2,1H3
InChIKeyISRYQWOTAVSQIU-UHFFFAOYSA-N
XLogP1.56
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

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-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81405111
1-cyclopentyloxy-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291900
1-(dimethylamino)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291858
1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81382477
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-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54298704
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-cyclopentyl-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 103157774
1-(hex-1-yn-3-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106230173

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol (CID 63291899) is 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol is CC(Cc1cccs1)NCC(O)COc1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is ISRYQWOTAVSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9(5-11-3-2-4-18-11)13-6-10(16)8-17-12-7-14-19-15-12/h2-4,7,9-10,13,16H,5-6,8H2,1H3.
What are the key properties of 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol?
1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 299.42 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63291899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).