sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide

C16H9Cl3NNaO3S — CID 142929209

IUPACsodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1.[Na+].[OH-]
InChIInChI=1S/C16H8Cl3NO2S.Na.H2O/c17-9-3-1-8(2-4-9)13-14(23-15(20-13)16(21)22)11-6-5-10(18)7-12(11)19;;/h1-7H,(H,21,22);;1H2/q;+1;/p-1
InChIKeyAXZSBYXONQCENB-UHFFFAOYSA-M
MW424.67 g/mol
LogP2.96
Rot. Bonds3

About sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide

sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide (PubChem CID 142929209) has the molecular formula C16H9Cl3NNaO3S and a molecular weight of 424.67 g/mol. Its IUPAC name is sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide
PubChem CID142929209
Molecular FormulaC16H9Cl3NNaO3S
Molecular Weight424.67 g/mol
Exact Mass422.93
IUPAC Namesodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1.[Na+].[OH-]
InChIInChI=1S/C16H8Cl3NO2S.Na.H2O/c17-9-3-1-8(2-4-9)13-14(23-15(20-13)16(21)22)11-6-5-10(18)7-12(11)19;;/h1-7H,(H,21,22);;1H2/q;+1;/p-1
InChIKeyAXZSBYXONQCENB-UHFFFAOYSA-M
XLogP2.96
TPSA80.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole
CID 57435542
4-(4-chlorophenyl)-1,3-thiazole-2,5-dicarboxylic acid
CID 118611364
3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229255
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
2-nitrooxyethyl 2-[4-[5-(2,4-dichlorophenyl)-2-(piperidin-1-ylcarbamoyl)-1,3-thiazol-4-yl]phenyl]-2-methylpropanoate
CID 121249445
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411

Frequently Asked Questions

What is the IUPAC name of sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide?
The IUPAC name of sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide (CID 142929209) is sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide?
The canonical SMILES for sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide is O=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1.[Na+].[OH-].
What is the InChIKey of sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide?
The InChIKey is AXZSBYXONQCENB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H8Cl3NO2S.Na.H2O/c17-9-3-1-8(2-4-9)13-14(23-15(20-13)16(21)22)11-6-5-10(18)7-12(11)19;;/h1-7H,(H,21,22);;1H2/q;+1;/p-1.
What are the key properties of sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide?
sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide has a molecular weight of 424.67 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 142929209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).