sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C17H14NNaO3S — CID 173422820

IUPACsodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(O)c(-c2nc(C(=O)O)c(-c3ccccc3)s2)c1.[H-].[Na+]
InChIInChI=1S/C17H13NO3S.Na.H/c1-10-7-8-13(19)12(9-10)16-18-14(17(20)21)15(22-16)11-5-3-2-4-6-11;;/h2-9,19H,1H3,(H,20,21);;/q;+1;-1
InChIKeyBHXXWKWLVSHJOT-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.31
Rot. Bonds3

About sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid

sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 173422820) has the molecular formula C17H14NNaO3S and a molecular weight of 335.36 g/mol. Its IUPAC name is sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID173422820
Molecular FormulaC17H14NNaO3S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Namesodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(O)c(-c2nc(C(=O)O)c(-c3ccccc3)s2)c1.[H-].[Na+]
InChIInChI=1S/C17H13NO3S.Na.H/c1-10-7-8-13(19)12(9-10)16-18-14(17(20)21)15(22-16)11-5-3-2-4-6-11;;/h2-9,19H,1H3,(H,20,21);;/q;+1;-1
InChIKeyBHXXWKWLVSHJOT-UHFFFAOYSA-N
XLogP1.31
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79570865
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715806
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 66867765
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 173422820) is sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is Cc1ccc(O)c(-c2nc(C(=O)O)c(-c3ccccc3)s2)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is BHXXWKWLVSHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S.Na.H/c1-10-7-8-13(19)12(9-10)16-18-14(17(20)21)15(22-16)11-5-3-2-4-6-11;;/h2-9,19H,1H3,(H,20,21);;/q;+1;-1.
What are the key properties of sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 173422820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).