2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid

C17H12ClN3O3S — CID 58094964

IUPAC2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)O)s2)ccn1
InChIInChI=1S/C17H12ClN3O3S/c1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(25-16)17(23)24)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,23,24)(H,19,20,22)
InChIKeyPYRJFEKINTUCGN-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid

2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58094964) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID58094964
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC Name2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)O)s2)ccn1
InChIInChI=1S/C17H12ClN3O3S/c1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(25-16)17(23)24)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,23,24)(H,19,20,22)
InChIKeyPYRJFEKINTUCGN-UHFFFAOYSA-N
XLogP4.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid (CID 58094964) is 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid is CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)O)s2)ccn1.
What is the InChIKey of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYRJFEKINTUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(25-16)17(23)24)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,23,24)(H,19,20,22).
What are the key properties of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid?
2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 373.82 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58094964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).