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

C9H19ClN2OS — CID 45263139

IUPAC(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)N1CCSC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-3-7(2)8(10)9(12)11-4-5-13-6-11;/h7-8H,3-6,10H2,1-2H3;1H/t7?,8-;/m0./s1
InChIKeyJCZWDVHZZQTPCQ-MTICXXPYSA-N
MW238.78 g/mol
LogP1.31
Rot. Bonds3

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

(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride (PubChem CID 45263139) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride
PubChem CID45263139
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)N1CCSC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-3-7(2)8(10)9(12)11-4-5-13-6-11;/h7-8H,3-6,10H2,1-2H3;1H/t7?,8-;/m0./s1
InChIKeyJCZWDVHZZQTPCQ-MTICXXPYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride (CID 45263139) is (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride is CCC(C)[C@H](N)C(=O)N1CCSC1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride?
The InChIKey is JCZWDVHZZQTPCQ-MTICXXPYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-3-7(2)8(10)9(12)11-4-5-13-6-11;/h7-8H,3-6,10H2,1-2H3;1H/t7?,8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride?
(2S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.31, 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;hydrochloride is sourced from PubChem (CID 45263139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).