(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O4S2 — CID 159429720

IUPAC(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SCN[C@@H]1C(=O)O.O=C(O)[C@@H]1CSCN1
InChIInChI=1S/C6H11NO2S.C4H7NO2S/c1-6(2)4(5(8)9)7-3-10-6;6-4(7)3-1-8-2-5-3/h4,7H,3H2,1-2H3,(H,8,9);3,5H,1-2H2,(H,6,7)/t4-;3-/m10/s1
InChIKeyLQVGGGKFXDCSCH-FOJGEQFDSA-N
MW294.40 g/mol
LogP0.25
Rot. Bonds2

About (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid

(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 159429720) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid
PubChem CID159429720
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SCN[C@@H]1C(=O)O.O=C(O)[C@@H]1CSCN1
InChIInChI=1S/C6H11NO2S.C4H7NO2S/c1-6(2)4(5(8)9)7-3-10-6;6-4(7)3-1-8-2-5-3/h4,7H,3H2,1-2H3,(H,8,9);3,5H,1-2H2,(H,6,7)/t4-;3-/m10/s1
InChIKeyLQVGGGKFXDCSCH-FOJGEQFDSA-N
XLogP0.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 21149485
1,3-thiazolidine-4-carboxylic acid
CID 9934
5,5-bis(deuteriomethyl)-1,3-thiazolidine-4-carboxylic acid
CID 140960157
1,3-thiazolidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172787478
2,2-dimethylthiomorpholine-3-carboxylic acid
CID 13127852
tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 67403070
(4S)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119343824
1-[(4R)-1,3-thiazolidin-4-yl]ethenol
CID 118586381
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(1,3-thiazolidine-4-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 12850310
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
(3S)-2,2-dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 14039527

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid (CID 159429720) is (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid is CC1(C)SCN[C@@H]1C(=O)O.O=C(O)[C@@H]1CSCN1.
What is the InChIKey of (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LQVGGGKFXDCSCH-FOJGEQFDSA-N. The full InChI is InChI=1S/C6H11NO2S.C4H7NO2S/c1-6(2)4(5(8)9)7-3-10-6;6-4(7)3-1-8-2-5-3/h4,7H,3H2,1-2H3,(H,8,9);3,5H,1-2H2,(H,6,7)/t4-;3-/m10/s1.
What are the key properties of (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid?
(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 159429720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).