1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H19N3O2S — CID 114099960

IUPAC1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCCC1(CNCC(O)COc2cnsn2)CC1
InChIInChI=1S/C11H19N3O2S/c1-2-11(3-4-11)8-12-5-9(15)7-16-10-6-13-17-14-10/h6,9,12,15H,2-5,7-8H2,1H3
InChIKeyQUJBIGZRDOGHGU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.06
Rot. Bonds8

About 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 114099960) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID114099960
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCCC1(CNCC(O)COc2cnsn2)CC1
InChIInChI=1S/C11H19N3O2S/c1-2-11(3-4-11)8-12-5-9(15)7-16-10-6-13-17-14-10/h6,9,12,15H,2-5,7-8H2,1H3
InChIKeyQUJBIGZRDOGHGU-UHFFFAOYSA-N
XLogP1.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(2-ethylhexylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107820071
1-(2-butoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 61171244
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 62522058
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106130149
1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 62553532
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042
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-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 114099960) is 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CCC1(CNCC(O)COc2cnsn2)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is QUJBIGZRDOGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-11(3-4-11)8-12-5-9(15)7-16-10-6-13-17-14-10/h6,9,12,15H,2-5,7-8H2,1H3.
What are the key properties of 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 114099960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).