naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C27H23NO2S — CID 3647053

IUPACnaphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCSC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H23NO2S/c29-26(23-15-8-12-21-11-4-5-13-22(21)23)28-17-18-31-27(28)24-14-6-7-16-25(24)30-19-20-9-2-1-3-10-20/h1-16,27H,17-19H2
InChIKeyJRNXOEDZDVXCMU-UHFFFAOYSA-N
MW425.55 g/mol
LogP6.31
Rot. Bonds5

About naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 3647053) has the molecular formula C27H23NO2S and a molecular weight of 425.55 g/mol. Its IUPAC name is naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID3647053
Molecular FormulaC27H23NO2S
Molecular Weight425.55 g/mol
Exact Mass425.14
IUPAC Namenaphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCSC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H23NO2S/c29-26(23-15-8-12-21-11-4-5-13-22(21)23)28-17-18-31-27(28)24-14-6-7-16-25(24)30-19-20-9-2-1-3-10-20/h1-16,27H,17-19H2
InChIKeyJRNXOEDZDVXCMU-UHFFFAOYSA-N
XLogP6.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 1025017
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4065802
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-2-thiophen-2-ylethanone
CID 93115036
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4079349
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025935
N-(2-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3443651
N-(2-ethylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5069506

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 3647053) is naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is O=C(c1cccc2ccccc12)N1CCSC1c1ccccc1OCc1ccccc1.
What is the InChIKey of naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is JRNXOEDZDVXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2S/c29-26(23-15-8-12-21-11-4-5-13-22(21)23)28-17-18-31-27(28)24-14-6-7-16-25(24)30-19-20-9-2-1-3-10-20/h1-16,27H,17-19H2.
What are the key properties of naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 425.55 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 3647053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).