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

C9H18N2OS — CID 6918465

IUPAC(2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCC[C@H](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-YUMQZZPRSA-N
MW202.32 g/mol
LogP0.89
Rot. Bonds3

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

(2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one (PubChem CID 6918465) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
PubChem CID6918465
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCC[C@H](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-YUMQZZPRSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one (CID 6918465) is (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCSC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The InChIKey is WCRLBFHWFPELKW-YUMQZZPRSA-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,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
(2S,3S)-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,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 6918465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).