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

C19H15Cl2FN2O2S — CID 156849127

IUPAC2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid
SMILESCC(C)Cc1sc(-c2cc(C(=O)O)c(F)cn2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2FN2O2S/c1-9(2)5-16-17(10-3-4-12(20)13(21)6-10)24-18(27-16)15-7-11(19(25)26)14(22)8-23-15/h3-4,6-9H,5H2,1-2H3,(H,25,26)
InChIKeyMZVDLSBPRMLAKH-UHFFFAOYSA-N
MW425.31 g/mol
LogP6.21
Rot. Bonds5

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

2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid (PubChem CID 156849127) has the molecular formula C19H15Cl2FN2O2S and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid
PubChem CID156849127
Molecular FormulaC19H15Cl2FN2O2S
Molecular Weight425.31 g/mol
Exact Mass424.02
IUPAC Name2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid
SMILESCC(C)Cc1sc(-c2cc(C(=O)O)c(F)cn2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2FN2O2S/c1-9(2)5-16-17(10-3-4-12(20)13(21)6-10)24-18(27-16)15-7-11(19(25)26)14(22)8-23-15/h3-4,6-9H,5H2,1-2H3,(H,25,26)
InChIKeyMZVDLSBPRMLAKH-UHFFFAOYSA-N
XLogP6.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-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

Related Compounds

4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 118709540
2-(2-Carbamoyl-3-pyridinyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 71534959
5-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-2-(2-methyl-pyridin-3-yl)-benzoic acid
CID 71535816
5-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-2-(5-fluoro-pyridin-2-yl)-benzoic acid
CID 86679849
2-(5-Chloro-pyridin-3-yl)-5-[4-(3,4-dichloro-phenyl)-thiazol-2-yl]-benzoic acid
CID 86679851
5-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-2-pyridin-4-yl-benzoic acid
CID 86679852
5-[4-(3,4-Dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylbenzoic acid
CID 156849045
2-[[4-(3,4-Dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849211
4-Chloro-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849887
2-[[4-(3,4-Dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156850158
5-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-2-(3-methyl-pyridin-4-yl)-benzoic acid
CID 71535817
5-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-2-pyridin-3-yl-benzoic acid
CID 86679850

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid (CID 156849127) is 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid is CC(C)Cc1sc(-c2cc(C(=O)O)c(F)cn2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid?
The InChIKey is MZVDLSBPRMLAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O2S/c1-9(2)5-16-17(10-3-4-12(20)13(21)6-10)24-18(27-16)15-7-11(19(25)26)14(22)8-23-15/h3-4,6-9H,5H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid?
2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid has a molecular weight of 425.31 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 156849127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).