2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol

C12H15BrN2OS2 — CID 105087316

IUPAC2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1ccc(Br)s1
InChIInChI=1S/C12H15BrN2OS2/c1-12(2,3)11-10(18-15-14-11)8(16)6-7-4-5-9(13)17-7/h4-5,8,16H,6H2,1-3H3
InChIKeyPEVRDYNHLYAXIV-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.94
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol (PubChem CID 105087316) has the molecular formula C12H15BrN2OS2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
PubChem CID105087316
Molecular FormulaC12H15BrN2OS2
Molecular Weight347.30 g/mol
Exact Mass345.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1ccc(Br)s1
InChIInChI=1S/C12H15BrN2OS2/c1-12(2,3)11-10(18-15-14-11)8(16)6-7-4-5-9(13)17-7/h4-5,8,16H,6H2,1-3H3
InChIKeyPEVRDYNHLYAXIV-UHFFFAOYSA-N
XLogP3.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.94
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-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol (CID 105087316) is 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The InChIKey is PEVRDYNHLYAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS2/c1-12(2,3)11-10(18-15-14-11)8(16)6-7-4-5-9(13)17-7/h4-5,8,16H,6H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol has a molecular weight of 347.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105087316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).