(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide

C9H17N3O2S — CID 66696477

IUPAC(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide
SMILESCC(CC(N)=O)[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C9H17N3O2S/c1-6(4-7(10)13)8(11)9(14)12-2-3-15-5-12/h6,8H,2-5,11H2,1H3,(H2,10,13)/t6?,8-/m0/s1
InChIKeyMWVASIPOXCJLCT-XDKWHASVSA-N
MW231.32 g/mol
LogP-0.64
Rot. Bonds4

About (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide

(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide (PubChem CID 66696477) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide
PubChem CID66696477
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide
SMILESCC(CC(N)=O)[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C9H17N3O2S/c1-6(4-7(10)13)8(11)9(14)12-2-3-15-5-12/h6,8H,2-5,11H2,1H3,(H2,10,13)/t6?,8-/m0/s1
InChIKeyMWVASIPOXCJLCT-XDKWHASVSA-N
XLogP-0.64
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(S)-2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one; hydrochloride
CID 11990640
(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
(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
2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one
CID 9794235
(R)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidine-4-carbonitrile
CID 44325719
(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride
CID 45263139
H-D-Thz-Leu-Gly-NH2
CID 90675113
(S)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidine-2-carbonitrile
CID 44325734

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide?
The IUPAC name of (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide (CID 66696477) is (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide.
What is the SMILES notation for (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide?
The canonical SMILES for (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide is CC(CC(N)=O)[C@H](N)C(=O)N1CCSC1.
What is the InChIKey of (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide?
The InChIKey is MWVASIPOXCJLCT-XDKWHASVSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-6(4-7(10)13)8(11)9(14)12-2-3-15-5-12/h6,8H,2-5,11H2,1H3,(H2,10,13)/t6?,8-/m0/s1.
What are the key properties of (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide?
(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide has a molecular weight of 231.32 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide is sourced from PubChem (CID 66696477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).