3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

C25H31NO3S — CID 4191905

IUPAC3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1ccc(C2SCCN2C(=O)CCC2CCCC2)cc1OCc1ccccc1
InChIInChI=1S/C25H31NO3S/c1-28-22-13-12-21(17-23(22)29-18-20-9-3-2-4-10-20)25-26(15-16-30-25)24(27)14-11-19-7-5-6-8-19/h2-4,9-10,12-13,17,19,25H,5-8,11,14-16,18H2,1H3
InChIKeyDAASFBWBCLFHDB-UHFFFAOYSA-N
MW425.59 g/mol
LogP5.82
Rot. Bonds8

About 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 4191905) has the molecular formula C25H31NO3S and a molecular weight of 425.59 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID4191905
Molecular FormulaC25H31NO3S
Molecular Weight425.59 g/mol
Exact Mass425.20
IUPAC Name3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1ccc(C2SCCN2C(=O)CCC2CCCC2)cc1OCc1ccccc1
InChIInChI=1S/C25H31NO3S/c1-28-22-13-12-21(17-23(22)29-18-20-9-3-2-4-10-20)25-26(15-16-30-25)24(27)14-11-19-7-5-6-8-19/h2-4,9-10,12-13,17,19,25H,5-8,11,14-16,18H2,1H3
InChIKeyDAASFBWBCLFHDB-UHFFFAOYSA-N
XLogP5.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330728
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122330021
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077565
2-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4536844
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4603126
1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122329471
N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4080269

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 4191905) is 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is COc1ccc(C2SCCN2C(=O)CCC2CCCC2)cc1OCc1ccccc1.
What is the InChIKey of 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is DAASFBWBCLFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3S/c1-28-22-13-12-21(17-23(22)29-18-20-9-3-2-4-10-20)25-26(15-16-30-25)24(27)14-11-19-7-5-6-8-19/h2-4,9-10,12-13,17,19,25H,5-8,11,14-16,18H2,1H3.
What are the key properties of 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 425.59 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 4191905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).