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

C15H16N2O3S2 — CID 120679060

IUPACcis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2cccs2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H16N2O3S2/c18-13(16-10-4-3-9(6-10)15(19)20)7-11-8-22-14(17-11)12-2-1-5-21-12/h1-2,5,8-10H,3-4,6-7H2,(H,16,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyPPYGMSZNTBXHPR-ZJUUUORDSA-N
MW336.44 g/mol
LogP2.78
Rot. Bonds5

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

cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120679060) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120679060
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Namecis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2cccs2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H16N2O3S2/c18-13(16-10-4-3-9(6-10)15(19)20)7-11-8-22-14(17-11)12-2-1-5-21-12/h1-2,5,8-10H,3-4,6-7H2,(H,16,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyPPYGMSZNTBXHPR-ZJUUUORDSA-N
XLogP2.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
6-methyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122083559
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18115290
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39966405
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120679060) is cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1csc(-c2cccs2)n1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PPYGMSZNTBXHPR-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-13(16-10-4-3-9(6-10)15(19)20)7-11-8-22-14(17-11)12-2-1-5-21-12/h1-2,5,8-10H,3-4,6-7H2,(H,16,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).