(3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol

C7H5BrN2OS2 — CID 105119290

IUPAC(3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1sccc1Br
InChIInChI=1S/C7H5BrN2OS2/c8-4-1-2-12-7(4)6(11)5-3-9-13-10-5/h1-3,6,11H
InChIKeyVOGMUBSXUXWBCN-UHFFFAOYSA-N
MW277.17 g/mol
LogP2.44
Rot. Bonds2

About (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol

(3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105119290) has the molecular formula C7H5BrN2OS2 and a molecular weight of 277.17 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105119290
Molecular FormulaC7H5BrN2OS2
Molecular Weight277.17 g/mol
Exact Mass275.90
IUPAC Name(3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1sccc1Br
InChIInChI=1S/C7H5BrN2OS2/c8-4-1-2-12-7(4)6(11)5-3-9-13-10-5/h1-3,6,11H
InChIKeyVOGMUBSXUXWBCN-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
2-(4-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494604
2-(3-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494726
(3-bromothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494779
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-2-ylethanol
CID 105087126
2-(5-Bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087218
2-(5-Ethylthiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087594
2-(4-Bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090530
2-(3-Bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099263

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105119290) is (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol is OC(c1cnsn1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is VOGMUBSXUXWBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS2/c8-4-1-2-12-7(4)6(11)5-3-9-13-10-5/h1-3,6,11H.
What are the key properties of (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
(3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 277.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105119290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).