(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one

C8H16N2OS — CID 70304364

IUPAC(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C8H16N2OS/c1-2-3-7(9)8(11)10-4-5-12-6-10/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyICOYNNGOQBPNFY-ZETCQYMHSA-N
MW188.30 g/mol
LogP0.65
Rot. Bonds3

About (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one

(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one (PubChem CID 70304364) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
PubChem CID70304364
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C8H16N2OS/c1-2-3-7(9)8(11)10-4-5-12-6-10/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyICOYNNGOQBPNFY-ZETCQYMHSA-N
XLogP0.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
CID 103797336
(2S)-2-amino-1-(7,7-dimethyl-1,4-thiazepan-4-yl)pentan-1-one
CID 107571032
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride
CID 22732128
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210676
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one (CID 70304364) is (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The InChIKey is ICOYNNGOQBPNFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-2-3-7(9)8(11)10-4-5-12-6-10/h7H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one?
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one has a molecular weight of 188.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 70304364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).