N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide

C11H7N3O2S — CID 53309545

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESN#Cc1cnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C11H7N3O2S/c12-5-7-6-13-11(17-7)14-10(16)8-3-1-2-4-9(8)15/h1-4,6,15H,(H,13,14,16)
InChIKeyMDUJGGWXRNJXDC-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.97
Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide

N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide (PubChem CID 53309545) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide
PubChem CID53309545
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESN#Cc1cnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C11H7N3O2S/c12-5-7-6-13-11(17-7)14-10(16)8-3-1-2-4-9(8)15/h1-4,6,15H,(H,13,14,16)
InChIKeyMDUJGGWXRNJXDC-UHFFFAOYSA-N
XLogP1.97
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide (CID 53309545) is N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide is N#Cc1cnc(NC(=O)c2ccccc2O)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The InChIKey is MDUJGGWXRNJXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-5-7-6-13-11(17-7)14-10(16)8-3-1-2-4-9(8)15/h1-4,6,15H,(H,13,14,16).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide?
N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide has a molecular weight of 245.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 53309545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).