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

C9H18N2OS — CID 11990640

IUPAC(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1
InChIKeyWCRLBFHWFPELKW-MQWKRIRWSA-N
MW202.32 g/mol
LogP0.89
Rot. Bonds3

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

(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one (PubChem CID 11990640) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
PubChem CID11990640
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1
InChIKeyWCRLBFHWFPELKW-MQWKRIRWSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pentanone, 2-amino-3-methyl-1-(3-thiazolidinyl)-, (2S,3S)-
CID 6918465
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 9883487
(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-aminium
CID 23647689
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
(S)-2-Amino-2-cyclohexyl-1-thiazolidin-3-yl-ethanone
CID 44458770
(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-aminium
CID 23647690
2,5-Diamino-1-thiazolidin-3-yl-pentan-1-one
CID 44364297
(R)-3-((S)-2-amino-3-methylbutanoyl)thiazolidin-4-ylboronic acid
CID 44560770
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 61174564
2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one
CID 9794235
2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one
CID 10130255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one (CID 11990640) is (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one is CCC(C)[C@H](N)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The InChIKey is WCRLBFHWFPELKW-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one has a molecular weight of 202.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 11990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).