4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine

C12H23NS — CID 66229577

IUPAC4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine
SMILESCCC1CSC(C2CCC(C)CC2)N1
InChIInChI=1S/C12H23NS/c1-3-11-8-14-12(13-11)10-6-4-9(2)5-7-10/h9-13H,3-8H2,1-2H3
InChIKeyWMAAVZHJOWFXQX-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.25
Rot. Bonds2

About 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine

4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine (PubChem CID 66229577) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine
PubChem CID66229577
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine
SMILESCCC1CSC(C2CCC(C)CC2)N1
InChIInChI=1S/C12H23NS/c1-3-11-8-14-12(13-11)10-6-4-9(2)5-7-10/h9-13H,3-8H2,1-2H3
InChIKeyWMAAVZHJOWFXQX-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Thia-4-azaspiro(4.5)decane, 8-methyl-, hydrochloride
CID 208010
2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
2-Cyclohexyl-5-methyl-1,3-thiazolidine
CID 3087736
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
8-Methyl-1-thia-4-azaspiro[4.5]decane
CID 208011
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79941911
5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79942003
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79942105
2-Methyl-8-(trifluoromethyl)-1-thia-4-azaspiro[4.5]decane
CID 80498010
3-Methyl-8-(trifluoromethyl)-1-thia-4-azaspiro[4.5]decane
CID 80498020
3-Methyl-7-(trifluoromethyl)-1-thia-4-azaspiro[4.5]decane
CID 80498500
2-Methyl-7-(trifluoromethyl)-1-thia-4-azaspiro[4.5]decane
CID 80498523

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine?
The IUPAC name of 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine (CID 66229577) is 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine.
What is the SMILES notation for 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine?
The canonical SMILES for 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine is CCC1CSC(C2CCC(C)CC2)N1.
What is the InChIKey of 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine?
The InChIKey is WMAAVZHJOWFXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-3-11-8-14-12(13-11)10-6-4-9(2)5-7-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine?
4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine has a molecular weight of 213.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine is sourced from PubChem (CID 66229577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).