sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate

C18H11ClF2NNaO3S — CID 23678184

IUPACsodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2F)cs1.[Na+]
InChIInChI=1S/C18H12ClF2NO3S.Na/c19-12-2-4-16(25-8-10-1-3-13(20)7-15(10)21)11(5-12)6-14-9-26-17(22-14)18(23)24;/h1-5,7,9H,6,8H2,(H,23,24);/q;+1/p-1
InChIKeyQVRBMOYDFLWYNE-UHFFFAOYSA-M
MW417.80 g/mol
LogP0.61
Rot. Bonds6

About sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate

sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate (PubChem CID 23678184) has the molecular formula C18H11ClF2NNaO3S and a molecular weight of 417.80 g/mol. Its IUPAC name is sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namesodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
PubChem CID23678184
Molecular FormulaC18H11ClF2NNaO3S
Molecular Weight417.80 g/mol
Exact Mass417.00
IUPAC Namesodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2F)cs1.[Na+]
InChIInChI=1S/C18H12ClF2NO3S.Na/c19-12-2-4-16(25-8-10-1-3-13(20)7-15(10)21)11(5-12)6-14-9-26-17(22-14)18(23)24;/h1-5,7,9H,6,8H2,(H,23,24);/q;+1/p-1
InChIKeyQVRBMOYDFLWYNE-UHFFFAOYSA-M
XLogP0.61
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate with MolForge

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Related Compounds

4-chloro-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384279
sodium 5-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate
CID 23686962
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
ethyl 2-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786330
sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786412
2-[[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 140527337
methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
CID 71024238
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
sodium 6-[[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 68838059
sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794

Frequently Asked Questions

What is the IUPAC name of sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate (CID 23678184) is sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate is O=C([O-])c1nc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2F)cs1.[Na+].
What is the InChIKey of sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate?
The InChIKey is QVRBMOYDFLWYNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12ClF2NO3S.Na/c19-12-2-4-16(25-8-10-1-3-13(20)7-15(10)21)11(5-12)6-14-9-26-17(22-14)18(23)24;/h1-5,7,9H,6,8H2,(H,23,24);/q;+1/p-1.
What are the key properties of sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate?
sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate has a molecular weight of 417.80 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 23678184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).