2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine

C12H17NS — CID 3050894

IUPAC2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
SMILESCc1cccc(C2(C)SCCN2C)c1
InChIInChI=1S/C12H17NS/c1-10-5-4-6-11(9-10)12(2)13(3)7-8-14-12/h4-6,9H,7-8H2,1-3H3
InChIKeyQCDIOSLGJHGMPD-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.85
Rot. Bonds1

About 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine

2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine (PubChem CID 3050894) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
PubChem CID3050894
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
SMILESCc1cccc(C2(C)SCCN2C)c1
InChIInChI=1S/C12H17NS/c1-10-5-4-6-11(9-10)12(2)13(3)7-8-14-12/h4-6,9H,7-8H2,1-3H3
InChIKeyQCDIOSLGJHGMPD-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine (CID 3050894) is 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine is Cc1cccc(C2(C)SCCN2C)c1.
What is the InChIKey of 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
The InChIKey is QCDIOSLGJHGMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-5-4-6-11(9-10)12(2)13(3)7-8-14-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine has a molecular weight of 207.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3050894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).