1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one

C17H25NO3S — CID 7413566

IUPAC1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
SMILESCOc1ccc([C@H]2SCCN2C(=O)CC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H25NO3S/c1-17(2,3)11-15(19)18-8-9-22-16(18)13-7-6-12(20-4)10-14(13)21-5/h6-7,10,16H,8-9,11H2,1-5H3/t16-/m1/s1
InChIKeyJCRPPCZMDUBJKB-MRXNPFEDSA-N
MW323.46 g/mol
LogP3.71
Rot. Bonds4

About 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one

1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one (PubChem CID 7413566) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
PubChem CID7413566
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
SMILESCOc1ccc([C@H]2SCCN2C(=O)CC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H25NO3S/c1-17(2,3)11-15(19)18-8-9-22-16(18)13-7-6-12(20-4)10-14(13)21-5/h6-7,10,16H,8-9,11H2,1-5H3/t16-/m1/s1
InChIKeyJCRPPCZMDUBJKB-MRXNPFEDSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7249096
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 4533715
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5082460
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183
3-chloro-1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 3422650

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one (CID 7413566) is 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one is COc1ccc([C@H]2SCCN2C(=O)CC(C)(C)C)c(OC)c1.
What is the InChIKey of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
The InChIKey is JCRPPCZMDUBJKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-17(2,3)11-15(19)18-8-9-22-16(18)13-7-6-12(20-4)10-14(13)21-5/h6-7,10,16H,8-9,11H2,1-5H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one has a molecular weight of 323.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 7413566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).