[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol

C12H9NOS3 — CID 107365183

IUPAC[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol
SMILESOCc1ccc(Sc2nc3ccccc3s2)s1
InChIInChI=1S/C12H9NOS3/c14-7-8-5-6-11(15-8)17-12-13-9-3-1-2-4-10(9)16-12/h1-6,14H,7H2
InChIKeyZWOSWMZVNTYHQH-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.00
Rot. Bonds3

About [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol

[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol (PubChem CID 107365183) has the molecular formula C12H9NOS3 and a molecular weight of 279.41 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol
PubChem CID107365183
Molecular FormulaC12H9NOS3
Molecular Weight279.41 g/mol
Exact Mass278.98
IUPAC Name[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol
SMILESOCc1ccc(Sc2nc3ccccc3s2)s1
InChIInChI=1S/C12H9NOS3/c14-7-8-5-6-11(15-8)17-12-13-9-3-1-2-4-10(9)16-12/h1-6,14H,7H2
InChIKeyZWOSWMZVNTYHQH-UHFFFAOYSA-N
XLogP4.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
CID 80651110
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66009891
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol
CID 107365242
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]ethanone
CID 113437421
2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-diol
CID 15141994
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814574
2-[4-(1,3-benzothiazol-2-yldisulfanyl)butyldisulfanyl]-1,3-benzothiazole
CID 18349410

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol (CID 107365183) is [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol is OCc1ccc(Sc2nc3ccccc3s2)s1.
What is the InChIKey of [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol?
The InChIKey is ZWOSWMZVNTYHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS3/c14-7-8-5-6-11(15-8)17-12-13-9-3-1-2-4-10(9)16-12/h1-6,14H,7H2.
What are the key properties of [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol?
[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol has a molecular weight of 279.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol is sourced from PubChem (CID 107365183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).