2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C11H13BrN2OS2 — CID 105087291

IUPAC2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H13BrN2OS2/c1-6(2)10-11(17-14-13-10)8(15)5-7-3-4-9(12)16-7/h3-4,6,8,15H,5H2,1-2H3
InChIKeyFOFYIZKBIPXGFE-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.76
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105087291) has the molecular formula C11H13BrN2OS2 and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105087291
Molecular FormulaC11H13BrN2OS2
Molecular Weight333.28 g/mol
Exact Mass331.97
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H13BrN2OS2/c1-6(2)10-11(17-14-13-10)8(15)5-7-3-4-9(12)16-7/h3-4,6,8,15H,5H2,1-2H3
InChIKeyFOFYIZKBIPXGFE-UHFFFAOYSA-N
XLogP3.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.76
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-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105087291) is 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is FOFYIZKBIPXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS2/c1-6(2)10-11(17-14-13-10)8(15)5-7-3-4-9(12)16-7/h3-4,6,8,15H,5H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 333.28 g/mol, XLogP of 3.76, 4 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-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105087291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).