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

C13H17NOS — CID 122331516

IUPAC(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2C)c(C)c1
InChIInChI=1S/C13H17NOS/c1-9-4-5-12(10(2)8-9)13(15)14-6-7-16-11(14)3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyKSGNWYVIGRCCOI-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.84
Rot. Bonds1

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

(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331516) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331516
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2C)c(C)c1
InChIInChI=1S/C13H17NOS/c1-9-4-5-12(10(2)8-9)13(15)14-6-7-16-11(14)3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyKSGNWYVIGRCCOI-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 35526946
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone
CID 122331672
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331516) is (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is Cc1ccc(C(=O)N2CCSC2C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is KSGNWYVIGRCCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-4-5-12(10(2)8-9)13(15)14-6-7-16-11(14)3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 235.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).