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

C17H14N2O2S — CID 53309542

IUPAC2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1O
InChIInChI=1S/C17H14N2O2S/c1-11-6-5-9-13(15(11)20)16(21)19-17-18-14(10-22-17)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,19,21)
InChIKeyLVBHLNSWZUKKAH-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.08
Rot. Bonds3

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

2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 53309542) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID53309542
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1O
InChIInChI=1S/C17H14N2O2S/c1-11-6-5-9-13(15(11)20)16(21)19-17-18-14(10-22-17)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,19,21)
InChIKeyLVBHLNSWZUKKAH-UHFFFAOYSA-N
XLogP4.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 53309542) is 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LVBHLNSWZUKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-6-5-9-13(15(11)20)16(21)19-17-18-14(10-22-17)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,19,21).
What are the key properties of 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 310.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 53309542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).