2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine

C11H14ClNS — CID 164656098

IUPAC2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine
SMILESCc1ccc(C2NC(C)CS2)c(Cl)c1
InChIInChI=1S/C11H14ClNS/c1-7-3-4-9(10(12)5-7)11-13-8(2)6-14-11/h3-5,8,11,13H,6H2,1-2H3
InChIKeyFEWSMQPGQZUZOB-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.37
Rot. Bonds1

About 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine

2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine (PubChem CID 164656098) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine
PubChem CID164656098
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine
SMILESCc1ccc(C2NC(C)CS2)c(Cl)c1
InChIInChI=1S/C11H14ClNS/c1-7-3-4-9(10(12)5-7)11-13-8(2)6-14-11/h3-5,8,11,13H,6H2,1-2H3
InChIKeyFEWSMQPGQZUZOB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine (CID 164656098) is 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine is Cc1ccc(C2NC(C)CS2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine?
The InChIKey is FEWSMQPGQZUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-7-3-4-9(10(12)5-7)11-13-8(2)6-14-11/h3-5,8,11,13H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine?
2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine has a molecular weight of 227.76 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-4-methyl-1,3-thiazolidine is sourced from PubChem (CID 164656098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).