2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol

C17H21NOS2 — CID 105115717

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)C2Cc3ccccc3S2)n1
InChIInChI=1S/C17H21NOS2/c1-17(2,3)15-10-20-16(18-15)9-12(19)14-8-11-6-4-5-7-13(11)21-14/h4-7,10,12,14,19H,8-9H2,1-3H3
InChIKeyZGJDVXBQKFOGKY-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (PubChem CID 105115717) has the molecular formula C17H21NOS2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
PubChem CID105115717
Molecular FormulaC17H21NOS2
Molecular Weight319.49 g/mol
Exact Mass319.11
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)C2Cc3ccccc3S2)n1
InChIInChI=1S/C17H21NOS2/c1-17(2,3)15-10-20-16(18-15)9-12(19)14-8-11-6-4-5-7-13(11)21-14/h4-7,10,12,14,19H,8-9H2,1-3H3
InChIKeyZGJDVXBQKFOGKY-UHFFFAOYSA-N
XLogP4.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
CID 105108065
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089082
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79820349
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 79820340
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105107239
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 105108217

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (CID 105115717) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is CC(C)(C)c1csc(CC(O)C2Cc3ccccc3S2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is ZGJDVXBQKFOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS2/c1-17(2,3)15-10-20-16(18-15)9-12(19)14-8-11-6-4-5-7-13(11)21-14/h4-7,10,12,14,19H,8-9H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 319.49 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105115717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).