4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid

C24H24N4O2S — CID 143286738

IUPAC4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid
SMILESCc1ccnc(Nc2cccc(C3=CN(C)C(CCc4ccc(C(=O)O)cc4)S3)n2)c1
InChIInChI=1S/C24H24N4O2S/c1-16-12-13-25-22(14-16)27-21-5-3-4-19(26-21)20-15-28(2)23(31-20)11-8-17-6-9-18(10-7-17)24(29)30/h3-7,9-10,12-15,23H,8,11H2,1-2H3,(H,29,30)(H,25,26,27)
InChIKeyFVDCNMGIMNQNMG-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.16
Rot. Bonds7

About 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid

4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid (PubChem CID 143286738) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid
PubChem CID143286738
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid
SMILESCc1ccnc(Nc2cccc(C3=CN(C)C(CCc4ccc(C(=O)O)cc4)S3)n2)c1
InChIInChI=1S/C24H24N4O2S/c1-16-12-13-25-22(14-16)27-21-5-3-4-19(26-21)20-15-28(2)23(31-20)11-8-17-6-9-18(10-7-17)24(29)30/h3-7,9-10,12-15,23H,8,11H2,1-2H3,(H,29,30)(H,25,26,27)
InChIKeyFVDCNMGIMNQNMG-UHFFFAOYSA-N
XLogP5.16
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid?
The IUPAC name of 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid (CID 143286738) is 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid is Cc1ccnc(Nc2cccc(C3=CN(C)C(CCc4ccc(C(=O)O)cc4)S3)n2)c1.
What is the InChIKey of 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid?
The InChIKey is FVDCNMGIMNQNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-16-12-13-25-22(14-16)27-21-5-3-4-19(26-21)20-15-28(2)23(31-20)11-8-17-6-9-18(10-7-17)24(29)30/h3-7,9-10,12-15,23H,8,11H2,1-2H3,(H,29,30)(H,25,26,27).
What are the key properties of 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid?
4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid has a molecular weight of 432.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2H-1,3-thiazol-2-yl]ethyl]benzoic acid is sourced from PubChem (CID 143286738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).