[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C20H19N3O4S — CID 122345756

IUPAC[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2cc(-c3cccnc3)on2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-25-16-6-5-13(10-18(16)26-2)20-23(8-9-28-20)19(24)15-11-17(27-22-15)14-4-3-7-21-12-14/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyTXUIPARMRHKAAC-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.64
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 122345756) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID122345756
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2cc(-c3cccnc3)on2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-25-16-6-5-13(10-18(16)26-2)20-23(8-9-28-20)19(24)15-11-17(27-22-15)14-4-3-7-21-12-14/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyTXUIPARMRHKAAC-UHFFFAOYSA-N
XLogP3.64
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122345751
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122345690
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122345781
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-iodophenyl)methanone
CID 122345806
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
CID 122345651
[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122345707
(7-phenyl-1,4-thiazepan-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 90629503
(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 139001482
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
CID 10409832

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 122345756) is [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is COc1ccc(C2SCCN2C(=O)c2cc(-c3cccnc3)on2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is TXUIPARMRHKAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-25-16-6-5-13(10-18(16)26-2)20-23(8-9-28-20)19(24)15-11-17(27-22-15)14-4-3-7-21-12-14/h3-7,10-12,20H,8-9H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 397.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122345756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).