cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid

C17H17FN2O3S — CID 120675846

IUPACcis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H17FN2O3S/c18-12-3-1-2-10(6-12)16-20-14(9-24-16)8-15(21)19-13-5-4-11(7-13)17(22)23/h1-3,6,9,11,13H,4-5,7-8H2,(H,19,21)(H,22,23)/t11-,13+/m0/s1
InChIKeyMWBLTYWUUNSOJT-WCQYABFASA-N
MW348.40 g/mol
LogP2.86
Rot. Bonds5

About cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675846) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675846
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Namecis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H17FN2O3S/c18-12-3-1-2-10(6-12)16-20-14(9-24-16)8-15(21)19-13-5-4-11(7-13)17(22)23/h1-3,6,9,11,13H,4-5,7-8H2,(H,19,21)(H,22,23)/t11-,13+/m0/s1
InChIKeyMWBLTYWUUNSOJT-WCQYABFASA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-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

N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119455230
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 16563687
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120679060
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
(2S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-2-carboxylic acid
CID 129415522
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120675846) is cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MWBLTYWUUNSOJT-WCQYABFASA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-12-3-1-2-10(6-12)16-20-14(9-24-16)8-15(21)19-13-5-4-11(7-13)17(22)23/h1-3,6,9,11,13H,4-5,7-8H2,(H,19,21)(H,22,23)/t11-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).