5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid

C24H20N4O3S — CID 143855053

IUPAC5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
SMILESCCc1ncc(C(=O)O)cc1-c1cnc(NC(C)=O)cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H20N4O3S/c1-3-20-17(9-16(11-25-20)24(30)31)19-12-26-22(27-14(2)29)10-18(19)23-28-21(13-32-23)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,30,31)(H,26,27,29)
InChIKeyUTIUJEBSQRKOOV-UHFFFAOYSA-N
MW444.52 g/mol
LogP5.15
Rot. Bonds6

About 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid

5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid (PubChem CID 143855053) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
PubChem CID143855053
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
SMILESCCc1ncc(C(=O)O)cc1-c1cnc(NC(C)=O)cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H20N4O3S/c1-3-20-17(9-16(11-25-20)24(30)31)19-12-26-22(27-14(2)29)10-18(19)23-28-21(13-32-23)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,30,31)(H,26,27,29)
InChIKeyUTIUJEBSQRKOOV-UHFFFAOYSA-N
XLogP5.15
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid with MolForge

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Related Compounds

methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
CID 67288491
[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]oxyboronic acid
CID 142785516
1-ethyl-3-[5-[2-ethyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 67288723
N,1-diethyl-6-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-oxoquinoline-3-carboxamide
CID 59415831
3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 59208491
methyl 2-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylate
CID 67288957
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 67057335
5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 143854950
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67288900
1-ethyl-3-[5-[3-(hydroxymethyl)-7-(2-morpholin-4-ylethoxy)-4-oxo-1-propylquinolin-6-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea
CID 90846671

Frequently Asked Questions

What is the IUPAC name of 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
The IUPAC name of 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid (CID 143855053) is 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid is CCc1ncc(C(=O)O)cc1-c1cnc(NC(C)=O)cc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
The InChIKey is UTIUJEBSQRKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-3-20-17(9-16(11-25-20)24(30)31)19-12-26-22(27-14(2)29)10-18(19)23-28-21(13-32-23)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,30,31)(H,26,27,29).
What are the key properties of 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid has a molecular weight of 444.52 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-acetamido-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 143855053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).