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

C20H19N3O3S — CID 91297919

IUPAC2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid
SMILESCC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccnc(CC(=O)O)c2)s1
InChIInChI=1S/C20H19N3O3S/c1-11-6-12(2)8-15(7-11)18-19(27-20(23-18)22-13(3)24)14-4-5-21-16(9-14)10-17(25)26/h4-9H,10H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCLSWMYKYMSPKQM-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.07
Rot. Bonds5

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

2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid (PubChem CID 91297919) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid
PubChem CID91297919
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid
SMILESCC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccnc(CC(=O)O)c2)s1
InChIInChI=1S/C20H19N3O3S/c1-11-6-12(2)8-15(7-11)18-19(27-20(23-18)22-13(3)24)14-4-5-21-16(9-14)10-17(25)26/h4-9H,10H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCLSWMYKYMSPKQM-UHFFFAOYSA-N
XLogP4.07
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
CID 22993732
1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea
CID 22282354
N-[5-(2,6-dimethyl-4-pyridinyl)-4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 53432163
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11580284
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 35024520
2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 141289102
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
CID 10113346
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11688036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid (CID 91297919) is 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid is CC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccnc(CC(=O)O)c2)s1.
What is the InChIKey of 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid?
The InChIKey is CLSWMYKYMSPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-11-6-12(2)8-15(7-11)18-19(27-20(23-18)22-13(3)24)14-4-5-21-16(9-14)10-17(25)26/h4-9H,10H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid?
2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid has a molecular weight of 381.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 91297919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).