3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C16H11ClN2O2S — CID 53309543

IUPAC3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1O
InChIInChI=1S/C16H11ClN2O2S/c17-12-8-4-7-11(14(12)20)15(21)19-16-18-13(9-22-16)10-5-2-1-3-6-10/h1-9,20H,(H,18,19,21)
InChIKeyTVDOAPUQQORPFK-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.42
Rot. Bonds3

About 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 53309543) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID53309543
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1O
InChIInChI=1S/C16H11ClN2O2S/c17-12-8-4-7-11(14(12)20)15(21)19-16-18-13(9-22-16)10-5-2-1-3-6-10/h1-9,20H,(H,18,19,21)
InChIKeyTVDOAPUQQORPFK-UHFFFAOYSA-N
XLogP4.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 53309543) is 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is TVDOAPUQQORPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-12-8-4-7-11(14(12)20)15(21)19-16-18-13(9-22-16)10-5-2-1-3-6-10/h1-9,20H,(H,18,19,21).
What are the key properties of 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 330.80 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 53309543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).