2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine

C8H14F3NS — CID 140796110

IUPAC2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
SMILESCC1NC(C(C)C)C(C(F)(F)F)S1
InChIInChI=1S/C8H14F3NS/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h4-7,12H,1-3H3
InChIKeyIKHLREKXSLZHNT-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.62
Rot. Bonds1

About 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine

2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 140796110) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
PubChem CID140796110
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
SMILESCC1NC(C(C)C)C(C(F)(F)F)S1
InChIInChI=1S/C8H14F3NS/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h4-7,12H,1-3H3
InChIKeyIKHLREKXSLZHNT-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 130205391
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 163878814
2-Methyl-4-isopropyl-thiazolidine
CID 568376
5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 79950682
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine
CID 102671602
2-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 102672425
2-methyl-N-(4,4,4-trifluorobutan-2-yl)thiolan-3-amine
CID 102673312
1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine
CID 102869805
2-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 103275771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine (CID 140796110) is 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine is CC1NC(C(C)C)C(C(F)(F)F)S1.
What is the InChIKey of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is IKHLREKXSLZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h4-7,12H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine?
2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 213.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 140796110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).