(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol

C13H15N3O2S — CID 133448027

IUPAC(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCOCc1nsc(N[C@H]2c3ccccc3C[C@H]2O)n1
InChIInChI=1S/C13H15N3O2S/c1-18-7-11-14-13(19-16-11)15-12-9-5-3-2-4-8(9)6-10(12)17/h2-5,10,12,17H,6-7H2,1H3,(H,14,15,16)/t10-,12+/m1/s1
InChIKeyWRNRTRKZFWHZHT-PWSUYJOCSA-N
MW277.35 g/mol
LogP1.75
Rot. Bonds4

About (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 133448027) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID133448027
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCOCc1nsc(N[C@H]2c3ccccc3C[C@H]2O)n1
InChIInChI=1S/C13H15N3O2S/c1-18-7-11-14-13(19-16-11)15-12-9-5-3-2-4-8(9)6-10(12)17/h2-5,10,12,17H,6-7H2,1H3,(H,14,15,16)/t10-,12+/m1/s1
InChIKeyWRNRTRKZFWHZHT-PWSUYJOCSA-N
XLogP1.75
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 133448027) is (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol is COCc1nsc(N[C@H]2c3ccccc3C[C@H]2O)n1.
What is the InChIKey of (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is WRNRTRKZFWHZHT-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-7-11-14-13(19-16-11)15-12-9-5-3-2-4-8(9)6-10(12)17/h2-5,10,12,17H,6-7H2,1H3,(H,14,15,16)/t10-,12+/m1/s1.
What are the key properties of (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 277.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 133448027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).