(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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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).