(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol

C7H5BrN2OS2 — CID 105113209

IUPAC(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol
SMILESOC(c1cnns1)c1cscc1Br
InChIInChI=1S/C7H5BrN2OS2/c8-5-3-12-2-4(5)7(11)6-1-9-10-13-6/h1-3,7,11H
InChIKeyMWIMLYAEXQJSBN-UHFFFAOYSA-N
MW277.17 g/mol
LogP2.44
Rot. Bonds2

About (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol

(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol (PubChem CID 105113209) has the molecular formula C7H5BrN2OS2 and a molecular weight of 277.17 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol
PubChem CID105113209
Molecular FormulaC7H5BrN2OS2
Molecular Weight277.17 g/mol
Exact Mass275.90
IUPAC Name(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol
SMILESOC(c1cnns1)c1cscc1Br
InChIInChI=1S/C7H5BrN2OS2/c8-5-3-12-2-4(5)7(11)6-1-9-10-13-6/h1-3,7,11H
InChIKeyMWIMLYAEXQJSBN-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

(2-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 102842463
1-(Thiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089517
Thiadiazol-5-yl(thiophen-3-yl)methanol
CID 105102732
(5-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 105103914
(3-Methylthiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105113018
(4-Bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105113117
(3-Bromothiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105119399
(2-Chlorothiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 130744369

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol (CID 105113209) is (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol is OC(c1cnns1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol?
The InChIKey is MWIMLYAEXQJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS2/c8-5-3-12-2-4(5)7(11)6-1-9-10-13-6/h1-3,7,11H.
What are the key properties of (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol?
(4-bromothiophen-3-yl)-(thiadiazol-5-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 (4-bromothiophen-3-yl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105113209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).