2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C15H16N2OS2 — CID 105083301

IUPAC2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C15H16N2OS2/c1-9(2)14-15(20-17-16-14)12(18)7-10-8-19-13-6-4-3-5-11(10)13/h3-6,8-9,12,18H,7H2,1-2H3
InChIKeyIGJUZKNWKHBTST-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.15
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105083301) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105083301
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C15H16N2OS2/c1-9(2)14-15(20-17-16-14)12(18)7-10-8-19-13-6-4-3-5-11(10)13/h3-6,8-9,12,18H,7H2,1-2H3
InChIKeyIGJUZKNWKHBTST-UHFFFAOYSA-N
XLogP4.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.15
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
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
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-tert-butylthiadiazol-5-yl)ethanol
CID 105083332
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105083301) is 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is IGJUZKNWKHBTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-9(2)14-15(20-17-16-14)12(18)7-10-8-19-13-6-4-3-5-11(10)13/h3-6,8-9,12,18H,7H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 304.44 g/mol, XLogP of 4.15, 4 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-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105083301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).