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

C20H19N3O2S — CID 10150294

IUPAC4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1
InChIInChI=1S/C20H19N3O2S/c24-19(25)15-3-7-16(8-4-15)21-20-22-18(13-26-20)14-5-9-17(10-6-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)(H,24,25)
InChIKeyWNHCXTUQUSBWBH-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.85
Rot. Bonds5

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

4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 10150294) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID10150294
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1
InChIInChI=1S/C20H19N3O2S/c24-19(25)15-3-7-16(8-4-15)21-20-22-18(13-26-20)14-5-9-17(10-6-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)(H,24,25)
InChIKeyWNHCXTUQUSBWBH-UHFFFAOYSA-N
XLogP4.85
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid with MolForge

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Related Compounds

4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
4-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910672
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 10150294) is 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is WNHCXTUQUSBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(25)15-3-7-16(8-4-15)21-20-22-18(13-26-20)14-5-9-17(10-6-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)(H,24,25).
What are the key properties of 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 365.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 10150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).