(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol

C7H5BrN2O2S — CID 105099526

IUPAC(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol
SMILESOC(c1cnns1)c1occc1Br
InChIInChI=1S/C7H5BrN2O2S/c8-4-1-2-12-7(4)6(11)5-3-9-10-13-5/h1-3,6,11H
InChIKeyCDOVIARJJBCHBG-UHFFFAOYSA-N
MW261.10 g/mol
LogP1.98
Rot. Bonds2

About (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol

(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol (PubChem CID 105099526) has the molecular formula C7H5BrN2O2S and a molecular weight of 261.10 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol
PubChem CID105099526
Molecular FormulaC7H5BrN2O2S
Molecular Weight261.10 g/mol
Exact Mass259.93
IUPAC Name(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol
SMILESOC(c1cnns1)c1occc1Br
InChIInChI=1S/C7H5BrN2O2S/c8-4-1-2-12-7(4)6(11)5-3-9-10-13-5/h1-3,6,11H
InChIKeyCDOVIARJJBCHBG-UHFFFAOYSA-N
XLogP1.98
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 115800624
(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105099534
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 114554058
(2E)-3-bromo-1-[5-[(3-bromofuran-2-yl)-hydroxymethyl]thiophen-2-yl]penta-2,4-diene-1,2-diol
CID 126515394
(3-bromofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105099514
(3-bromofuran-2-yl)-(2,3-dihydrofuran-5-yl)methanol
CID 130174038
(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
CID 63942028
(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
CID 105091691
(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 106886347
(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
CID 66129848

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol (CID 105099526) is (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol is OC(c1cnns1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol?
The InChIKey is CDOVIARJJBCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2S/c8-4-1-2-12-7(4)6(11)5-3-9-10-13-5/h1-3,6,11H.
What are the key properties of (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol?
(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol has a molecular weight of 261.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105099526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).