4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine

C10H16N2S — CID 173132011

IUPAC4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine
SMILESCC1(C)SCNC1C1=CC=CCN1
InChIInChI=1S/C10H16N2S/c1-10(2)9(12-7-13-10)8-5-3-4-6-11-8/h3-5,9,11-12H,6-7H2,1-2H3
InChIKeyHRBWISXJLRJIMN-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.47
Rot. Bonds1

About 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine

4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine (PubChem CID 173132011) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine
PubChem CID173132011
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine
SMILESCC1(C)SCNC1C1=CC=CCN1
InChIInChI=1S/C10H16N2S/c1-10(2)9(12-7-13-10)8-5-3-4-6-11-8/h3-5,9,11-12H,6-7H2,1-2H3
InChIKeyHRBWISXJLRJIMN-UHFFFAOYSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine?
The IUPAC name of 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine (CID 173132011) is 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine?
The canonical SMILES for 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine is CC1(C)SCNC1C1=CC=CCN1.
What is the InChIKey of 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine?
The InChIKey is HRBWISXJLRJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2)9(12-7-13-10)8-5-3-4-6-11-8/h3-5,9,11-12H,6-7H2,1-2H3.
What are the key properties of 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine?
4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine has a molecular weight of 196.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-6-yl)-5,5-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 173132011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).