cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C15H22N2O3S — CID 106032480

IUPACcis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NCCc2csc(C)n2)[C@H](C(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-3-10-6-12(13(7-10)15(19)20)14(18)16-5-4-11-8-21-9(2)17-11/h8,10,12-13H,3-7H2,1-2H3,(H,16,18)(H,19,20)/t10?,12-,13+/m0/s1
InChIKeyWRCUYVUDSLFDMH-HEVMSJOKSA-N
MW310.42 g/mol
LogP2.25
Rot. Bonds6

About cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106032480) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106032480
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namecis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NCCc2csc(C)n2)[C@H](C(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-3-10-6-12(13(7-10)15(19)20)14(18)16-5-4-11-8-21-9(2)17-11/h8,10,12-13H,3-7H2,1-2H3,(H,16,18)(H,19,20)/t10?,12-,13+/m0/s1
InChIKeyWRCUYVUDSLFDMH-HEVMSJOKSA-N
XLogP2.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
(2R,3S)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106032460
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
CID 114140510
4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106414692
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511970
4-ethyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511873
cis-(1R,2S)-4-ethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106394700

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106032480) is cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)NCCc2csc(C)n2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WRCUYVUDSLFDMH-HEVMSJOKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-10-6-12(13(7-10)15(19)20)14(18)16-5-4-11-8-21-9(2)17-11/h8,10,12-13H,3-7H2,1-2H3,(H,16,18)(H,19,20)/t10?,12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106032480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).