2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol

C9H9BrN2OS2 — CID 105090901

IUPAC2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
SMILESCc1nnsc1C(O)Cc1sccc1Br
InChIInChI=1S/C9H9BrN2OS2/c1-5-9(15-12-11-5)7(13)4-8-6(10)2-3-14-8/h2-3,7,13H,4H2,1H3
InChIKeyVYWRRBRORZCPCL-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol (PubChem CID 105090901) has the molecular formula C9H9BrN2OS2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
PubChem CID105090901
Molecular FormulaC9H9BrN2OS2
Molecular Weight305.22 g/mol
Exact Mass303.93
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
SMILESCc1nnsc1C(O)Cc1sccc1Br
InChIInChI=1S/C9H9BrN2OS2/c1-5-9(15-12-11-5)7(13)4-8-6(10)2-3-14-8/h2-3,7,13H,4H2,1H3
InChIKeyVYWRRBRORZCPCL-UHFFFAOYSA-N
XLogP2.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102842379
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(Thiadiazol-4-yl)-2-thiophen-2-ylethanol
CID 105087160
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol (CID 105090901) is 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol is Cc1nnsc1C(O)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol?
The InChIKey is VYWRRBRORZCPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS2/c1-5-9(15-12-11-5)7(13)4-8-6(10)2-3-14-8/h2-3,7,13H,4H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol has a molecular weight of 305.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105090901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).