sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate

C18H13ClNNaO3S — CID 23678183

IUPACsodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(-c2cc(Cl)ccc2OCc2ccccc2)n1.[Na+]
InChIInChI=1S/C18H14ClNO3S.Na/c19-13-6-7-16(23-10-12-4-2-1-3-5-12)15(8-13)18-20-14(11-24-18)9-17(21)22;/h1-8,11H,9-10H2,(H,21,22);/q;+1/p-1
InChIKeyLVEVEZJVIRHYSO-UHFFFAOYSA-M
MW381.82 g/mol
LogP0.34
Rot. Bonds6

About sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate

sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 23678183) has the molecular formula C18H13ClNNaO3S and a molecular weight of 381.82 g/mol. Its IUPAC name is sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namesodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID23678183
Molecular FormulaC18H13ClNNaO3S
Molecular Weight381.82 g/mol
Exact Mass381.02
IUPAC Namesodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(-c2cc(Cl)ccc2OCc2ccccc2)n1.[Na+]
InChIInChI=1S/C18H14ClNO3S.Na/c19-13-6-7-16(23-10-12-4-2-1-3-5-12)15(8-13)18-20-14(11-24-18)9-17(21)22;/h1-8,11H,9-10H2,(H,21,22);/q;+1/p-1
InChIKeyLVEVEZJVIRHYSO-UHFFFAOYSA-M
XLogP0.34
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 23678183) is sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(-c2cc(Cl)ccc2OCc2ccccc2)n1.[Na+].
What is the InChIKey of sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is LVEVEZJVIRHYSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14ClNO3S.Na/c19-13-6-7-16(23-10-12-4-2-1-3-5-12)15(8-13)18-20-14(11-24-18)9-17(21)22;/h1-8,11H,9-10H2,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate?
sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 381.82 g/mol, XLogP of 0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 23678183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).