2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid

C24H19Cl2N3O2S — CID 156849446

IUPAC2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid
SMILESCC(C)c1sc(Nc2ncc(-c3ccccc3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2N3O2S/c1-13(2)21-20(15-8-9-18(25)19(26)11-15)28-24(32-21)29-22-17(23(30)31)10-16(12-27-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyIQIPDCOCOBCBEY-UHFFFAOYSA-N
MW484.41 g/mol
LogP7.74
Rot. Bonds6

About 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid

2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid (PubChem CID 156849446) has the molecular formula C24H19Cl2N3O2S and a molecular weight of 484.41 g/mol. Its IUPAC name is 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid
PubChem CID156849446
Molecular FormulaC24H19Cl2N3O2S
Molecular Weight484.41 g/mol
Exact Mass483.06
IUPAC Name2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid
SMILESCC(C)c1sc(Nc2ncc(-c3ccccc3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2N3O2S/c1-13(2)21-20(15-8-9-18(25)19(26)11-15)28-24(32-21)29-22-17(23(30)31)10-16(12-27-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyIQIPDCOCOBCBEY-UHFFFAOYSA-N
XLogP7.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid (CID 156849446) is 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid is CC(C)c1sc(Nc2ncc(-c3ccccc3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid?
The InChIKey is IQIPDCOCOBCBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2S/c1-13(2)21-20(15-8-9-18(25)19(26)11-15)28-24(32-21)29-22-17(23(30)31)10-16(12-27-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid?
2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid has a molecular weight of 484.41 g/mol, XLogP of 7.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 156849446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).