1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol

C15H13NOS2 — CID 63814574

IUPAC1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(Sc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13NOS2/c1-10(17)11-6-8-12(9-7-11)18-15-16-13-4-2-3-5-14(13)19-15/h2-10,17H,1H3
InChIKeyDBKAMUYHMKPSKX-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.50
Rot. Bonds3

About 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol

1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 63814574) has the molecular formula C15H13NOS2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID63814574
Molecular FormulaC15H13NOS2
Molecular Weight287.41 g/mol
Exact Mass287.04
IUPAC Name1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(Sc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13NOS2/c1-10(17)11-6-8-12(9-7-11)18-15-16-13-4-2-3-5-14(13)19-15/h2-10,17H,1H3
InChIKeyDBKAMUYHMKPSKX-UHFFFAOYSA-N
XLogP4.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286117
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653
1-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-bromophenyl]ethanol
CID 82973200
(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
CID 63813808
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939134
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66009891
2-[[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339731
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropanamide
CID 70410872
2-[(2S)-2-methyl-3-(4-methylphenyl)sulfanylpropyl]sulfanyl-1,3-benzothiazole
CID 101004249
4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromobenzoic acid
CID 107282625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol (CID 63814574) is 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol is CC(O)c1ccc(Sc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is DBKAMUYHMKPSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS2/c1-10(17)11-6-8-12(9-7-11)18-15-16-13-4-2-3-5-14(13)19-15/h2-10,17H,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol?
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 287.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63814574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).