4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

C17H14N2O3S — CID 24776309

IUPAC4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCOc1ccccc1-c1csc(Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C17H14N2O3S/c1-22-15-5-3-2-4-13(15)14-10-23-17(19-14)18-12-8-6-11(7-9-12)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyXBZLGTFOMXCHPP-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.26
Rot. Bonds5

About 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 24776309) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID24776309
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCOc1ccccc1-c1csc(Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C17H14N2O3S/c1-22-15-5-3-2-4-13(15)14-10-23-17(19-14)18-12-8-6-11(7-9-12)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyXBZLGTFOMXCHPP-UHFFFAOYSA-N
XLogP4.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 24776309) is 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is COc1ccccc1-c1csc(Nc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is XBZLGTFOMXCHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-22-15-5-3-2-4-13(15)14-10-23-17(19-14)18-12-8-6-11(7-9-12)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 326.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 24776309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).