(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine

C12H22N2S — CID 163666290

IUPAC(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine
SMILESC[C@H]1SCC(CC2=CCCN(C)C2)N1C
InChIInChI=1S/C12H22N2S/c1-10-14(3)12(9-15-10)7-11-5-4-6-13(2)8-11/h5,10,12H,4,6-9H2,1-3H3/t10-,12?/m1/s1
InChIKeyIYTHDQHCTNPDMX-RWANSRKNSA-N
MW226.39 g/mol
LogP2.03
Rot. Bonds2

About (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine

(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine (PubChem CID 163666290) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine
PubChem CID163666290
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine
SMILESC[C@H]1SCC(CC2=CCCN(C)C2)N1C
InChIInChI=1S/C12H22N2S/c1-10-14(3)12(9-15-10)7-11-5-4-6-13(2)8-11/h5,10,12H,4,6-9H2,1-3H3/t10-,12?/m1/s1
InChIKeyIYTHDQHCTNPDMX-RWANSRKNSA-N
XLogP2.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine?
The IUPAC name of (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine (CID 163666290) is (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine.
What is the SMILES notation for (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine?
The canonical SMILES for (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine is C[C@H]1SCC(CC2=CCCN(C)C2)N1C.
What is the InChIKey of (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine?
The InChIKey is IYTHDQHCTNPDMX-RWANSRKNSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10-14(3)12(9-15-10)7-11-5-4-6-13(2)8-11/h5,10,12H,4,6-9H2,1-3H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine?
(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine has a molecular weight of 226.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine is sourced from PubChem (CID 163666290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).