(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone

C17H17NO2S — CID 122331716

IUPAC(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
SMILESCC1SCCN1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-13-18(11-12-21-13)17(19)14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3
InChIKeyDGIJGFJOAOKJOQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.01
Rot. Bonds3

About (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone

(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone (PubChem CID 122331716) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
PubChem CID122331716
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
SMILESCC1SCCN1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-13-18(11-12-21-13)17(19)14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3
InChIKeyDGIJGFJOAOKJOQ-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone
CID 122331672
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(4-butoxyphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331547
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone (CID 122331716) is (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone is CC1SCCN1C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is DGIJGFJOAOKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13-18(11-12-21-13)17(19)14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3.
What are the key properties of (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone?
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 299.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 122331716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).