3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid

C6H10N2O2S — CID 10702379

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid
SMILESO=C(O)CCNC1=NCCS1
InChIInChI=1S/C6H10N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h1-4H2,(H,7,8)(H,9,10)
InChIKeyKWSUMFGKHUDTJJ-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.15
Rot. Bonds3

About 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid

3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid (PubChem CID 10702379) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid
PubChem CID10702379
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid
SMILESO=C(O)CCNC1=NCCS1
InChIInChI=1S/C6H10N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h1-4H2,(H,7,8)(H,9,10)
InChIKeyKWSUMFGKHUDTJJ-UHFFFAOYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid 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

(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetic acid
CID 314325
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
CID 54609807
(1,4,5,6-Tetrahydropyrimidin-2-ylsulfanyl)-acetic acid
CID 3137296
4-((4,5-Dihydrothiazol-2-yl)amino)butanoic acid
CID 3322617
3-(4-Oxo-4,5-dihydro-thiazol-2-ylamino)-propionic acid
CID 135468896
3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid
CID 413701
2-Amino-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 13708433
(4,5,6,7-Tetrahydro-1h-1,3-diazepin-2-ylthio)acetic acid
CID 129793450
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
CID 24190477
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)butanoic acid
CID 13713480
3-(2-Amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)propanoic acid
CID 60040911
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoic acid
CID 68210523

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid (CID 10702379) is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid is O=C(O)CCNC1=NCCS1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid?
The InChIKey is KWSUMFGKHUDTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h1-4H2,(H,7,8)(H,9,10).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid?
3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid has a molecular weight of 174.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoic acid is sourced from PubChem (CID 10702379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).