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

C17H17NO2S — CID 122331672

IUPAC(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone
SMILESCC1SCCN1C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C17H17NO2S/c1-13-18(11-12-21-13)17(19)15-9-5-6-10-16(15)20-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyAZHUSPQJBDRVIQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.01
Rot. Bonds3

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

(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone (PubChem CID 122331672) 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)-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone
PubChem CID122331672
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone
SMILESCC1SCCN1C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C17H17NO2S/c1-13-18(11-12-21-13)17(19)15-9-5-6-10-16(15)20-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyAZHUSPQJBDRVIQ-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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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone?
The IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone (CID 122331672) is (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone.
What is the SMILES notation for (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone?
The canonical SMILES for (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone is CC1SCCN1C(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone?
The InChIKey is AZHUSPQJBDRVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13-18(11-12-21-13)17(19)15-9-5-6-10-16(15)20-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of (2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone?
(2-methyl-1,3-thiazolidin-3-yl)-(2-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)-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 122331672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).