4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C13H18N2O3S — CID 114390786

IUPAC4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(CNC(=O)C2CC(C)CC2C(=O)O)s1
InChIInChI=1S/C13H18N2O3S/c1-7-3-10(11(4-7)13(17)18)12(16)15-6-9-5-14-8(2)19-9/h5,7,10-11H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyURPIJYVYQLJDMF-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.81
Rot. Bonds4

About 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390786) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390786
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(CNC(=O)C2CC(C)CC2C(=O)O)s1
InChIInChI=1S/C13H18N2O3S/c1-7-3-10(11(4-7)13(17)18)12(16)15-6-9-5-14-8(2)19-9/h5,7,10-11H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyURPIJYVYQLJDMF-UHFFFAOYSA-N
XLogP1.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 61281202
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688301
2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780770
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114185871
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114390786) is 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is Cc1ncc(CNC(=O)C2CC(C)CC2C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is URPIJYVYQLJDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-7-3-10(11(4-7)13(17)18)12(16)15-6-9-5-14-8(2)19-9/h5,7,10-11H,3-4,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).