4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 114391406

IUPAC4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCc2cncs2)C1
InChIInChI=1S/C12H16N2O3S/c1-7-2-9(10(3-7)12(16)17)11(15)14-5-8-4-13-6-18-8/h4,6-7,9-10H,2-3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZYDJWLQHBANVIY-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.51
Rot. Bonds4

About 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114391406) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114391406
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCc2cncs2)C1
InChIInChI=1S/C12H16N2O3S/c1-7-2-9(10(3-7)12(16)17)11(15)14-5-8-4-13-6-18-8/h4,6-7,9-10H,2-3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZYDJWLQHBANVIY-UHFFFAOYSA-N
XLogP1.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390786
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 68850926
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390788
cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114185871
3-methyl-1-(1,3-thiazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102783080
cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 166254916
cis-(1R,2S)-4-methyl-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114181906
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390988
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114391406) is 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCc2cncs2)C1.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZYDJWLQHBANVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-2-9(10(3-7)12(16)17)11(15)14-5-8-4-13-6-18-8/h4,6-7,9-10H,2-3,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).