3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol

C8H17NOS — CID 143204673

IUPAC3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol
SMILESCC[C@H](C)CN1CSCC1O
InChIInChI=1S/C8H17NOS/c1-3-7(2)4-9-6-11-5-8(9)10/h7-8,10H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeySCHNBDFHYFABFW-JAMMHHFISA-N
MW175.30 g/mol
LogP1.36
Rot. Bonds3

About 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol

3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol (PubChem CID 143204673) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol
PubChem CID143204673
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol
SMILESCC[C@H](C)CN1CSCC1O
InChIInChI=1S/C8H17NOS/c1-3-7(2)4-9-6-11-5-8(9)10/h7-8,10H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeySCHNBDFHYFABFW-JAMMHHFISA-N
XLogP1.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
CID 15052279
2-(2-Pyrrolidin-1-ylethylsulfanyl)ethanol
CID 43393655
4-Hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
CID 123861444
2-[Methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol
CID 146382592
1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol
CID 147649112
[(3R)-1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 156299291
(1S)-1-[(5S)-5-methyl-1,3-thiazolidin-3-yl]ethanol
CID 163989388
[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol
CID 15052281
[1-(2-Methylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 64722378
[1-(2-Methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 64866896
[1-(3-Methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 64867331
2-Methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)propan-1-ol
CID 66104733

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol?
The IUPAC name of 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol (CID 143204673) is 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol is CC[C@H](C)CN1CSCC1O.
What is the InChIKey of 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol?
The InChIKey is SCHNBDFHYFABFW-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-7(2)4-9-6-11-5-8(9)10/h7-8,10H,3-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol?
3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol has a molecular weight of 175.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol is sourced from PubChem (CID 143204673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).