2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine

C13H23NS — CID 103277784

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine
SMILESCCC1CSC(C2CC(C)=CC(C)C2)N1
InChIInChI=1S/C13H23NS/c1-4-12-8-15-13(14-12)11-6-9(2)5-10(3)7-11/h5,9,11-14H,4,6-8H2,1-3H3
InChIKeyRTFRMPCBNQXTPE-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.42
Rot. Bonds2

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine

2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine (PubChem CID 103277784) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine
PubChem CID103277784
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine
SMILESCCC1CSC(C2CC(C)=CC(C)C2)N1
InChIInChI=1S/C13H23NS/c1-4-12-8-15-13(14-12)11-6-9(2)5-10(3)7-11/h5,9,11-14H,4,6-8H2,1-3H3
InChIKeyRTFRMPCBNQXTPE-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
(1S)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016251
(1R)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016252
(1R)-1-[(10S)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016254
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
4-[Cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine
CID 134197953
2-Methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
CID 142009824
2,2-Dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane
CID 142647190
7-methyl-6-(2-methylprop-1-enylsulfanyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole
CID 143198967
2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
CID 143703564

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine (CID 103277784) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine is CCC1CSC(C2CC(C)=CC(C)C2)N1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine?
The InChIKey is RTFRMPCBNQXTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-12-8-15-13(14-12)11-6-9(2)5-10(3)7-11/h5,9,11-14H,4,6-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine?
2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine has a molecular weight of 225.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine is sourced from PubChem (CID 103277784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).