2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol

C13H10ClNOS2 — CID 66461877

IUPAC2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNOS2/c14-12-6-5-11(17-12)9(16)7-13-15-8-3-1-2-4-10(8)18-13/h1-6,9,16H,7H2
InChIKeyFJKVLRHOQUKSTQ-UHFFFAOYSA-N
MW295.82 g/mol
LogP4.29
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 66461877) has the molecular formula C13H10ClNOS2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID66461877
Molecular FormulaC13H10ClNOS2
Molecular Weight295.82 g/mol
Exact Mass294.99
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNOS2/c14-12-6-5-11(17-12)9(16)7-13-15-8-3-1-2-4-10(8)18-13/h1-6,9,16H,7H2
InChIKeyFJKVLRHOQUKSTQ-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 83987490
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79819016
2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79819245
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
2-[2-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzothiazole
CID 66459136

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol (CID 66461877) is 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol is OC(Cc1nc2ccccc2s1)c1ccc(Cl)s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is FJKVLRHOQUKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS2/c14-12-6-5-11(17-12)9(16)7-13-15-8-3-1-2-4-10(8)18-13/h1-6,9,16H,7H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 295.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 66461877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).