(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C13H13ClN2O2S — CID 94178772

IUPAC(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1CCCc2c(OCc3nnsc3Cl)cccc21
InChIInChI=1S/C13H13ClN2O2S/c14-13-10(15-16-19-13)7-18-12-6-2-3-8-9(12)4-1-5-11(8)17/h2-3,6,11,17H,1,4-5,7H2/t11-/m1/s1
InChIKeyOKIRXWRNKLPFOA-LLVKDONJSA-N
MW296.78 g/mol
LogP3.14
Rot. Bonds3

About (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 94178772) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID94178772
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1CCCc2c(OCc3nnsc3Cl)cccc21
InChIInChI=1S/C13H13ClN2O2S/c14-13-10(15-16-19-13)7-18-12-6-2-3-8-9(12)4-1-5-11(8)17/h2-3,6,11,17H,1,4-5,7H2/t11-/m1/s1
InChIKeyOKIRXWRNKLPFOA-LLVKDONJSA-N
XLogP3.14
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102616513
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115582286
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 112650653
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
5-[(2-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711814
5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65454842
5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 66152504

Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 94178772) is (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1CCCc2c(OCc3nnsc3Cl)cccc21.
What is the InChIKey of (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is OKIRXWRNKLPFOA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-13-10(15-16-19-13)7-18-12-6-2-3-8-9(12)4-1-5-11(8)17/h2-3,6,11,17H,1,4-5,7H2/t11-/m1/s1.
What are the key properties of (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 296.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 94178772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).