N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C10H20ClN3O2S — CID 120508830

IUPACN-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H19N3O2S.ClH/c1-3-9(14)13-6-16-5-8(13)10(15)12-7(2)4-11;/h7-8H,3-6,11H2,1-2H3,(H,12,15);1H/t7-,8?;/m0./s1
InChIKeyDAMZMSSYSYWDQJ-JPPWUZRISA-N
MW281.81 g/mol
LogP0.18
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120508830) has the molecular formula C10H20ClN3O2S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120508830
Molecular FormulaC10H20ClN3O2S
Molecular Weight281.81 g/mol
Exact Mass281.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H19N3O2S.ClH/c1-3-9(14)13-6-16-5-8(13)10(15)12-7(2)4-11;/h7-8H,3-6,11H2,1-2H3,(H,12,15);1H/t7-,8?;/m0./s1
InChIKeyDAMZMSSYSYWDQJ-JPPWUZRISA-N
XLogP0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257
(2S)-3-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 119359474
N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120832672
2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119187544
(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
CID 95145718
5-cyclohexyl-4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 122056748
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
CID 60609338
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119456046
2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 120547503
N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 102555877

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120508830) is N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCC(=O)N1CSCC1C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is DAMZMSSYSYWDQJ-JPPWUZRISA-N. The full InChI is InChI=1S/C10H19N3O2S.ClH/c1-3-9(14)13-6-16-5-8(13)10(15)12-7(2)4-11;/h7-8H,3-6,11H2,1-2H3,(H,12,15);1H/t7-,8?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120508830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).