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

C11H19N3O2S — CID 104577999

IUPAC1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC(C)(NCC(O)COc1cnsn1)C1CC1
InChIInChI=1S/C11H19N3O2S/c1-11(2,8-3-4-8)12-5-9(15)7-16-10-6-13-17-14-10/h6,8-9,12,15H,3-5,7H2,1-2H3
InChIKeyQAPVPMYJBWWKSR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.06
Rot. Bonds7

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

1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 104577999) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID104577999
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC(C)(NCC(O)COc1cnsn1)C1CC1
InChIInChI=1S/C11H19N3O2S/c1-11(2,8-3-4-8)12-5-9(15)7-16-10-6-13-17-14-10/h6,8-9,12,15H,3-5,7H2,1-2H3
InChIKeyQAPVPMYJBWWKSR-UHFFFAOYSA-N
XLogP1.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
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-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54906125

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 104577999) is 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CC(C)(NCC(O)COc1cnsn1)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is QAPVPMYJBWWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,8-3-4-8)12-5-9(15)7-16-10-6-13-17-14-10/h6,8-9,12,15H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 104577999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).