(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone

C14H9NO3S — CID 54160180

IUPAC(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1nc2ccc(O)cc2s1)c1ccccc1O
InChIInChI=1S/C14H9NO3S/c16-8-5-6-10-12(7-8)19-14(15-10)13(18)9-3-1-2-4-11(9)17/h1-7,16-17H
InChIKeyONVYGRACLTUNMZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.94
Rot. Bonds2

About (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone

(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone (PubChem CID 54160180) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone
PubChem CID54160180
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1nc2ccc(O)cc2s1)c1ccccc1O
InChIInChI=1S/C14H9NO3S/c16-8-5-6-10-12(7-8)19-14(15-10)13(18)9-3-1-2-4-11(9)17/h1-7,16-17H
InChIKeyONVYGRACLTUNMZ-UHFFFAOYSA-N
XLogP2.94
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-hydroxy-1,3-benzothiazol-2-yl)-(2-nitrophenyl)methanone
CID 54495460
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
CID 83393932
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366
(4S)-2-(6-hydroxy-1,3-benzothiazole-2-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 69298268
(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
CID 83393015
1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
CID 23764551
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
2-[1-(6-hydroxy-1,3-benzothiazol-2-yl)ethylideneamino]butanoic acid
CID 136503178
2-benzylsulfanyl-1,3-benzothiazol-6-ol
CID 14749857

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone (CID 54160180) is (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone is O=C(c1nc2ccc(O)cc2s1)c1ccccc1O.
What is the InChIKey of (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is ONVYGRACLTUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-8-5-6-10-12(7-8)19-14(15-10)13(18)9-3-1-2-4-11(9)17/h1-7,16-17H.
What are the key properties of (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone?
(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 271.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 54160180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).