[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone

C17H18N2O3S — CID 122331438

IUPAC[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2cccnc2OC)cc1
InChIInChI=1S/C17H18N2O3S/c1-21-13-7-5-12(6-8-13)17-19(10-11-23-17)16(20)14-4-3-9-18-15(14)22-2/h3-9,17H,10-11H2,1-2H3
InChIKeyWSPRMZYDOAWMAT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.99
Rot. Bonds4

About [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 122331438) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID122331438
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2cccnc2OC)cc1
InChIInChI=1S/C17H18N2O3S/c1-21-13-7-5-12(6-8-13)17-19(10-11-23-17)16(20)14-4-3-9-18-15(14)22-2/h3-9,17H,10-11H2,1-2H3
InChIKeyWSPRMZYDOAWMAT-UHFFFAOYSA-N
XLogP2.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329222
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122329401
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
(2-methoxy-3-pyridinyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270172
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
CID 100713336
2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone (CID 122331438) is [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ccc(C2SCCN2C(=O)c2cccnc2OC)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is WSPRMZYDOAWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-21-13-7-5-12(6-8-13)17-19(10-11-23-17)16(20)14-4-3-9-18-15(14)22-2/h3-9,17H,10-11H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 330.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 122331438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).