2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine

C12H22F3NS — CID 143806352

IUPAC2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
SMILESCCCC(CC1SC(C)NC1C)CC(F)(F)F
InChIInChI=1S/C12H22F3NS/c1-4-5-10(7-12(13,14)15)6-11-8(2)16-9(3)17-11/h8-11,16H,4-7H2,1-3H3
InChIKeyAHZNCTBIZVKNGK-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.18
Rot. Bonds5

About 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine

2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine (PubChem CID 143806352) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
PubChem CID143806352
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
SMILESCCCC(CC1SC(C)NC1C)CC(F)(F)F
InChIInChI=1S/C12H22F3NS/c1-4-5-10(7-12(13,14)15)6-11-8(2)16-9(3)17-11/h8-11,16H,4-7H2,1-3H3
InChIKeyAHZNCTBIZVKNGK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
CID 140796110
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
4-[Cyclopropyl(difluoro)methyl]-2,4,5-trimethyl-1,3-thiazolidine
CID 164038147
N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379
N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730655
N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43747397
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
7-(Trifluoromethyl)-1-thia-4-azaspiro[4.5]decane
CID 80497638

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine?
The IUPAC name of 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine (CID 143806352) is 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine.
What is the SMILES notation for 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine?
The canonical SMILES for 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine is CCCC(CC1SC(C)NC1C)CC(F)(F)F.
What is the InChIKey of 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine?
The InChIKey is AHZNCTBIZVKNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-4-5-10(7-12(13,14)15)6-11-8(2)16-9(3)17-11/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine?
2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine has a molecular weight of 269.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine is sourced from PubChem (CID 143806352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).