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

C9H17N3O3S — CID 60898042

IUPAC1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCOCC(C)NCC(O)COc1cnsn1
InChIInChI=1S/C9H17N3O3S/c1-7(5-14-2)10-3-8(13)6-15-9-4-11-16-12-9/h4,7-8,10,13H,3,5-6H2,1-2H3
InChIKeyMJTYPTVIFWRLQG-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.10
Rot. Bonds8

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

1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60898042) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60898042
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCOCC(C)NCC(O)COc1cnsn1
InChIInChI=1S/C9H17N3O3S/c1-7(5-14-2)10-3-8(13)6-15-9-4-11-16-12-9/h4,7-8,10,13H,3,5-6H2,1-2H3
InChIKeyMJTYPTVIFWRLQG-UHFFFAOYSA-N
XLogP-0.10
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
2-[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]-3-methylbutan-1-ol
CID 79249568
1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291899
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-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81405111
1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54298704
1-(hex-1-yn-3-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106230173
1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81382477
1-(2-butoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 61171244
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60898042) is 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is COCC(C)NCC(O)COc1cnsn1.
What is the InChIKey of 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is MJTYPTVIFWRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(5-14-2)10-3-8(13)6-15-9-4-11-16-12-9/h4,7-8,10,13H,3,5-6H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 247.32 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60898042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).