3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid

C17H20N4O3S — CID 123214201

IUPAC3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid
SMILESCC(NN1C(=O)C(CCc2cnc(N)s2)C1C(=O)O)c1ccccc1
InChIInChI=1S/C17H20N4O3S/c1-10(11-5-3-2-4-6-11)20-21-14(16(23)24)13(15(21)22)8-7-12-9-19-17(18)25-12/h2-6,9-10,13-14,20H,7-8H2,1H3,(H2,18,19)(H,23,24)
InChIKeyTYQSNSIRIPOWSU-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.84
Rot. Bonds7

About 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid

3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid (PubChem CID 123214201) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid
PubChem CID123214201
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid
SMILESCC(NN1C(=O)C(CCc2cnc(N)s2)C1C(=O)O)c1ccccc1
InChIInChI=1S/C17H20N4O3S/c1-10(11-5-3-2-4-6-11)20-21-14(16(23)24)13(15(21)22)8-7-12-9-19-17(18)25-12/h2-6,9-10,13-14,20H,7-8H2,1H3,(H2,18,19)(H,23,24)
InChIKeyTYQSNSIRIPOWSU-UHFFFAOYSA-N
XLogP1.84
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic 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

(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
CID 147889258
benzyl 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylate
CID 123299686
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 175454276
benzyl (2S,3R)-3-[2-[4-(iodomethyl)phenyl]ethyl]-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 163884229
(2S,3R)-3-[2-(2-amino-4-pyridinyl)ethyl]-1-(benzhydrylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 118299484
methyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(1-phenylpropyl)amino]acetate
CID 120901542
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43249826
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
benzyl (2S)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 126557070
benzhydryl (6R)-7-[[2-(2-amino-1,3-thiazol-5-yl)acetyl]amino]-4-(bromomethylidene)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 150989969
2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid?
The IUPAC name of 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid (CID 123214201) is 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid is CC(NN1C(=O)C(CCc2cnc(N)s2)C1C(=O)O)c1ccccc1.
What is the InChIKey of 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid?
The InChIKey is TYQSNSIRIPOWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10(11-5-3-2-4-6-11)20-21-14(16(23)24)13(15(21)22)8-7-12-9-19-17(18)25-12/h2-6,9-10,13-14,20H,7-8H2,1H3,(H2,18,19)(H,23,24).
What are the key properties of 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid?
3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxo-1-(1-phenylethylamino)azetidine-2-carboxylic acid is sourced from PubChem (CID 123214201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).