3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one

C14H19NOS — CID 122331753

IUPAC3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCSC2C)c1
InChIInChI=1S/C14H19NOS/c1-11-4-3-5-13(10-11)6-7-14(16)15-8-9-17-12(15)2/h3-5,10,12H,6-9H2,1-2H3
InChIKeyOTZPWEWKQKWEHJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.85
Rot. Bonds3

About 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one

3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 122331753) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID122331753
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCSC2C)c1
InChIInChI=1S/C14H19NOS/c1-11-4-3-5-13(10-11)6-7-14(16)15-8-9-17-12(15)2/h3-5,10,12H,6-9H2,1-2H3
InChIKeyOTZPWEWKQKWEHJ-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
1-[2-(chloromethyl)pyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 55187996
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 103441076
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 62366943
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione
CID 66062306
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634
1-[2-(aminomethyl)azepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 116639940
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one (CID 122331753) is 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one is Cc1cccc(CCC(=O)N2CCSC2C)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is OTZPWEWKQKWEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11-4-3-5-13(10-11)6-7-14(16)15-8-9-17-12(15)2/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 249.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 122331753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).