2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol

C16H18N2OS2 — CID 105083332

IUPAC2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C16H18N2OS2/c1-16(2,3)15-14(21-18-17-15)12(19)8-10-9-20-13-7-5-4-6-11(10)13/h4-7,9,12,19H,8H2,1-3H3
InChIKeyZSZLJPZWQVOBSW-UHFFFAOYSA-N
MW318.47 g/mol
LogP4.33
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol (PubChem CID 105083332) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
PubChem CID105083332
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C16H18N2OS2/c1-16(2,3)15-14(21-18-17-15)12(19)8-10-9-20-13-7-5-4-6-11(10)13/h4-7,9,12,19H,8H2,1-3H3
InChIKeyZSZLJPZWQVOBSW-UHFFFAOYSA-N
XLogP4.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.33
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-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
2-(1-Benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105083301
2-(1-Benzothiophen-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105083304
2-(1-Benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105083324
2-(1-Benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105083334
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162
1-(4-Tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087179

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol (CID 105083332) is 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The InChIKey is ZSZLJPZWQVOBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-16(2,3)15-14(21-18-17-15)12(19)8-10-9-20-13-7-5-4-6-11(10)13/h4-7,9,12,19H,8H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol has a molecular weight of 318.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105083332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).