2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C16H17FN2O3S — CID 17349282

IUPAC2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2nc3ccc(F)cc3s2)CCCC1
InChIInChI=1S/C16H17FN2O3S/c17-10-3-4-11-12(7-10)23-15(18-11)19-13(20)8-16(9-14(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-9H2,(H,21,22)(H,18,19,20)
InChIKeyLVLXQZLETYHXOL-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.80
Rot. Bonds5

About 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 17349282) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID17349282
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2nc3ccc(F)cc3s2)CCCC1
InChIInChI=1S/C16H17FN2O3S/c17-10-3-4-11-12(7-10)23-15(18-11)19-13(20)8-16(9-14(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-9H2,(H,21,22)(H,18,19,20)
InChIKeyLVLXQZLETYHXOL-UHFFFAOYSA-N
XLogP3.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic 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

2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 103750559
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
2-benzylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 963436
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylprop-2-enamide
CID 108739014
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 4545064
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 78826947
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 2694590
N-(6-fluoro-1,3-benzothiazol-2-yl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
CID 171354020
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070753

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 17349282) is 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2nc3ccc(F)cc3s2)CCCC1.
What is the InChIKey of 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is LVLXQZLETYHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-10-3-4-11-12(7-10)23-15(18-11)19-13(20)8-16(9-14(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-9H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 17349282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).