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

C26H25NO2S — CID 4065802

IUPAC(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CC1c1ccccc1)N1CCSC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H25NO2S/c28-25(23-17-22(23)20-11-5-2-6-12-20)27-15-16-30-26(27)21-13-7-8-14-24(21)29-18-19-9-3-1-4-10-19/h1-14,22-23,26H,15-18H2
InChIKeyOBOBZOZIHRIIGN-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.64
Rot. Bonds6

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

(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 4065802) has the molecular formula C26H25NO2S and a molecular weight of 415.56 g/mol. Its IUPAC name is (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID4065802
Molecular FormulaC26H25NO2S
Molecular Weight415.56 g/mol
Exact Mass415.16
IUPAC Name(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CC1c1ccccc1)N1CCSC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H25NO2S/c28-25(23-17-22(23)20-11-5-2-6-12-20)27-15-16-30-26(27)21-13-7-8-14-24(21)29-18-19-9-3-1-4-10-19/h1-14,22-23,26H,15-18H2
InChIKeyOBOBZOZIHRIIGN-UHFFFAOYSA-N
XLogP5.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 7260189
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 1025017
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-2-thiophen-2-ylethanone
CID 93115036
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
(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
ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7297696

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 4065802) is (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is O=C(C1CC1c1ccccc1)N1CCSC1c1ccccc1OCc1ccccc1.
What is the InChIKey of (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is OBOBZOZIHRIIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2S/c28-25(23-17-22(23)20-11-5-2-6-12-20)27-15-16-30-26(27)21-13-7-8-14-24(21)29-18-19-9-3-1-4-10-19/h1-14,22-23,26H,15-18H2.
What are the key properties of (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 415.56 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 4065802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).