2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid

C18H14ClN3O3S — CID 68830076

IUPAC2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCC(=O)Nc1cc(-c2sc(CC(=O)O)nc2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H14ClN3O3S/c1-10(23)21-14-8-12(5-6-20-14)18-17(11-3-2-4-13(19)7-11)22-15(26-18)9-16(24)25/h2-8H,9H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyWXCAZEQOYCVZOI-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.11
Rot. Bonds5

About 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid

2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 68830076) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID68830076
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCC(=O)Nc1cc(-c2sc(CC(=O)O)nc2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H14ClN3O3S/c1-10(23)21-14-8-12(5-6-20-14)18-17(11-3-2-4-13(19)7-11)22-15(26-18)9-16(24)25/h2-8H,9H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyWXCAZEQOYCVZOI-UHFFFAOYSA-N
XLogP4.11
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
CID 99647046
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
CID 10113346
N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
CID 18446680
N-[4-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]-2-pyridinyl]propanamide
CID 57349391
2-[5-(2-amino-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethyl benzoate
CID 91079239
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406
N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 58095220
2-[4-[[4-(3-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956102
4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226830
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid
CID 91297919
5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid (CID 68830076) is 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid is CC(=O)Nc1cc(-c2sc(CC(=O)O)nc2-c2cccc(Cl)c2)ccn1.
What is the InChIKey of 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is WXCAZEQOYCVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-10(23)21-14-8-12(5-6-20-14)18-17(11-3-2-4-13(19)7-11)22-15(26-18)9-16(24)25/h2-8H,9H2,1H3,(H,24,25)(H,20,21,23).
What are the key properties of 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid?
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 387.85 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 68830076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).