ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C21H22FN3O5S — CID 95377054

IUPACethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc21
InChIInChI=1S/C21H22FN3O5S/c1-2-29-20(28)13-7-8-16-18(13)23-21(31-16)24-19(27)12-9-25(10-12)17(26)11-30-15-6-4-3-5-14(15)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,24,27)/t13-/m0/s1
InChIKeyAFZVWZSYJNAEKM-ZDUSSCGKSA-N
MW447.49 g/mol
LogP2.35
Rot. Bonds7

About ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 95377054) has the molecular formula C21H22FN3O5S and a molecular weight of 447.49 g/mol. Its IUPAC name is ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID95377054
Molecular FormulaC21H22FN3O5S
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC Nameethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc21
InChIInChI=1S/C21H22FN3O5S/c1-2-29-20(28)13-7-8-16-18(13)23-21(31-16)24-19(27)12-9-25(10-12)17(26)11-30-15-6-4-3-5-14(15)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,24,27)/t13-/m0/s1
InChIKeyAFZVWZSYJNAEKM-ZDUSSCGKSA-N
XLogP2.35
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate 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

ethyl 2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 71785371
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
CID 90512648
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 71785363
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
N-(3,4-dimethylphenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512537
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121084077
ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51868465
N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512654
ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51894262

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 95377054) is ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc21.
What is the InChIKey of ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is AFZVWZSYJNAEKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22FN3O5S/c1-2-29-20(28)13-7-8-16-18(13)23-21(31-16)24-19(27)12-9-25(10-12)17(26)11-30-15-6-4-3-5-14(15)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,24,27)/t13-/m0/s1.
What are the key properties of ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 447.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 95377054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).