2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol

C10H11BrN2OS2 — CID 105090584

IUPAC2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1cc(Br)cs1
InChIInChI=1S/C10H11BrN2OS2/c1-2-8-10(16-13-12-8)9(14)4-7-3-6(11)5-15-7/h3,5,9,14H,2,4H2,1H3
InChIKeyMFOISBLYTDMKSW-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol

2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol (PubChem CID 105090584) has the molecular formula C10H11BrN2OS2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
PubChem CID105090584
Molecular FormulaC10H11BrN2OS2
Molecular Weight319.25 g/mol
Exact Mass317.95
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1cc(Br)cs1
InChIInChI=1S/C10H11BrN2OS2/c1-2-8-10(16-13-12-8)9(14)4-7-3-6(11)5-15-7/h3,5,9,14H,2,4H2,1H3
InChIKeyMFOISBLYTDMKSW-UHFFFAOYSA-N
XLogP3.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.20
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-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol (CID 105090584) is 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol is CCc1nnsc1C(O)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The InChIKey is MFOISBLYTDMKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS2/c1-2-8-10(16-13-12-8)9(14)4-7-3-6(11)5-15-7/h3,5,9,14H,2,4H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol has a molecular weight of 319.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105090584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).