4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

C19H16Cl3N3O2S — CID 156849887

IUPAC4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Cc1sc(Nc2nccc(Cl)c2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl3N3O2S/c1-9(2)7-14-16(10-3-4-11(20)13(22)8-10)24-19(28-14)25-17-15(18(26)27)12(21)5-6-23-17/h3-6,8-9H,7H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyJLUDSDGJWLRFGW-UHFFFAOYSA-N
MW456.78 g/mol
LogP6.81
Rot. Bonds6

About 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 156849887) has the molecular formula C19H16Cl3N3O2S and a molecular weight of 456.78 g/mol. Its IUPAC name is 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID156849887
Molecular FormulaC19H16Cl3N3O2S
Molecular Weight456.78 g/mol
Exact Mass455.00
IUPAC Name4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Cc1sc(Nc2nccc(Cl)c2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl3N3O2S/c1-9(2)7-14-16(10-3-4-11(20)13(22)8-10)24-19(28-14)25-17-15(18(26)27)12(21)5-6-23-17/h3-6,8-9H,7H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyJLUDSDGJWLRFGW-UHFFFAOYSA-N
XLogP6.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic 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-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (CID 156849887) is 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is CC(C)Cc1sc(Nc2nccc(Cl)c2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is JLUDSDGJWLRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2S/c1-9(2)7-14-16(10-3-4-11(20)13(22)8-10)24-19(28-14)25-17-15(18(26)27)12(21)5-6-23-17/h3-6,8-9H,7H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 456.78 g/mol, XLogP of 6.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 156849887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).