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

C12H9NO2S — CID 17447192

IUPAC[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C12H9NO2S/c14-7-8-5-6-10(15-8)12-13-9-3-1-2-4-11(9)16-12/h1-6,14H,7H2
InChIKeyGCSOVDAMZIDBEI-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.05
Rot. Bonds2

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

[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol (PubChem CID 17447192) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol
PubChem CID17447192
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C12H9NO2S/c14-7-8-5-6-10(15-8)12-13-9-3-1-2-4-11(9)16-12/h1-6,14H,7H2
InChIKeyGCSOVDAMZIDBEI-UHFFFAOYSA-N
XLogP3.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-Benzothiazol-2-yl)furan-2-carbaldehyde
CID 727559
2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile
CID 2789038
1,3-Benzothiazol-2-ylmethyl 5-(methylsulfanylmethyl)furan-2-carboxylate
CID 4786418
2-(Furan-2-yl)-1,3-benzothiazole
CID 233991
(E)-3-(5-Benzothiazol-2-yl-furan-2-yl)-2-cyano-acrylamide
CID 940742
N-(2-methylbenzo[d]thiazol-6-yl)furan-2-carboxamide
CID 1085170
5-(1,3-Benzothiazol-2-yl)furan-2-carboxylic acid
CID 2118130
1,3-Benzothiazol-2-ylmethyl 5-methylfuran-2-carboxylate
CID 2626079
1,3-Benzothiazol-2-ylmethyl furan-2-carboxylate
CID 699696
N-(2-furylmethyl)-1,3-benzothiazole-2-carboxamide
CID 972828
1,3-Benzothiazol-2-ylmethyl 5-bromofuran-2-carboxylate
CID 5243999
[5-(1,3-Benzothiazol-2-yl)furan-2-yl]methanamine
CID 7131963

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol?
The IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol (CID 17447192) is [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol is OCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol?
The InChIKey is GCSOVDAMZIDBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c14-7-8-5-6-10(15-8)12-13-9-3-1-2-4-11(9)16-12/h1-6,14H,7H2.
What are the key properties of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol?
[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol has a molecular weight of 231.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanol is sourced from PubChem (CID 17447192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).