(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid

C17H16N2O5S — CID 125176155

IUPAC(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
SMILESO=C(CCOc1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2
InChIInChI=1S/C17H16N2O5S/c20-13-9-10(16(22)23)8-12-15(13)25-17(18-12)19-14(21)6-7-24-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,22,23)(H,18,19,21)/t10-/m1/s1
InChIKeyLFWACEDBXRKNKL-SNVBAGLBSA-N
MW360.39 g/mol
LogP2.38
Rot. Bonds6

About (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid

(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid (PubChem CID 125176155) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
PubChem CID125176155
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
SMILESO=C(CCOc1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2
InChIInChI=1S/C17H16N2O5S/c20-13-9-10(16(22)23)8-12-15(13)25-17(18-12)19-14(21)6-7-24-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,22,23)(H,18,19,21)/t10-/m1/s1
InChIKeyLFWACEDBXRKNKL-SNVBAGLBSA-N
XLogP2.38
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid with MolForge

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Related Compounds

(5R)-2-(3-cyclohexylpropanoylamino)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 125157477
(5R)-2-[(4-methoxybenzoyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 125170560
(5R)-7-oxo-2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 125168231
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide
CID 82194064
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2-phenoxyethoxy)acetamide
CID 55785941
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4163956
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-3-phenoxypropanamide
CID 5093075
N-[(5R)-7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
CID 714175
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
2-benzamido-N-methyl-7-oxo-N-propan-2-yl-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 45177633
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679

Frequently Asked Questions

What is the IUPAC name of (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid?
The IUPAC name of (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid (CID 125176155) is (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid.
What is the SMILES notation for (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid?
The canonical SMILES for (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid is O=C(CCOc1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2.
What is the InChIKey of (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid?
The InChIKey is LFWACEDBXRKNKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16N2O5S/c20-13-9-10(16(22)23)8-12-15(13)25-17(18-12)19-14(21)6-7-24-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,22,23)(H,18,19,21)/t10-/m1/s1.
What are the key properties of (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid?
(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid has a molecular weight of 360.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid is sourced from PubChem (CID 125176155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).