3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide

C14H10N2O3S — CID 56929343

IUPAC3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1
InChIInChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)
InChIKeyXGCKLYXJNJVNJZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.96
Rot. Bonds2

About 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide

3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 56929343) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID56929343
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1
InChIInChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)
InChIKeyXGCKLYXJNJVNJZ-UHFFFAOYSA-N
XLogP2.96
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (CID 56929343) is 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is XGCKLYXJNJVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19).
What are the key properties of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 56929343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).