(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C13H15FN2O2S — CID 105120967

IUPAC(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1cccc(C(O)c2snnc2C(C)C)c1F
InChIInChI=1S/C13H15FN2O2S/c1-7(2)11-13(19-16-15-11)12(17)8-5-4-6-9(18-3)10(8)14/h4-7,12,17H,1-3H3
InChIKeyUUQCERPKGLKYSI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.89
Rot. Bonds4

About (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105120967) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105120967
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1cccc(C(O)c2snnc2C(C)C)c1F
InChIInChI=1S/C13H15FN2O2S/c1-7(2)11-13(19-16-15-11)12(17)8-5-4-6-9(18-3)10(8)14/h4-7,12,17H,1-3H3
InChIKeyUUQCERPKGLKYSI-UHFFFAOYSA-N
XLogP2.89
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105117017
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 106765130
(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105176488
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82792485
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(1S,2R)-1-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105120967) is (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is COc1cccc(C(O)c2snnc2C(C)C)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is UUQCERPKGLKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-7(2)11-13(19-16-15-11)12(17)8-5-4-6-9(18-3)10(8)14/h4-7,12,17H,1-3H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105120967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).