N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C18H19N3O3S — CID 94629453

IUPACN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)CN2CSCC2=O)c1C
InChIInChI=1S/C18H19N3O3S/c1-12-5-3-7-15(13(12)2)24-18-14(6-4-8-19-18)20-16(22)9-21-11-25-10-17(21)23/h3-8H,9-11H2,1-2H3,(H,20,22)
InChIKeyRPRMQKUNMVWYEH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 94629453) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID94629453
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)CN2CSCC2=O)c1C
InChIInChI=1S/C18H19N3O3S/c1-12-5-3-7-15(13(12)2)24-18-14(6-4-8-19-18)20-16(22)9-21-11-25-10-17(21)23/h3-8H,9-11H2,1-2H3,(H,20,22)
InChIKeyRPRMQKUNMVWYEH-UHFFFAOYSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33372160
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408
N-(2-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512402
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 52690252
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 60524613
N-(2,6-dimethylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 27760086
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 97007270
2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
CID 119848997
N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51121600
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123858

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 94629453) is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1cccc(Oc2ncccc2NC(=O)CN2CSCC2=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is RPRMQKUNMVWYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-5-3-7-15(13(12)2)24-18-14(6-4-8-19-18)20-16(22)9-21-11-25-10-17(21)23/h3-8H,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 94629453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).