1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H17N3O3S — CID 55012416

IUPAC1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cscn1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N3O3S/c1-15(6-9-7-19-8-13-9)11(18)14-12(10(16)17)4-2-3-5-12/h7-8H,2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyCXVLCWLNRPUHHM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.68
Rot. Bonds4

About 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 55012416) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID55012416
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cscn1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N3O3S/c1-15(6-9-7-19-8-13-9)11(18)14-12(10(16)17)4-2-3-5-12/h7-8H,2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyCXVLCWLNRPUHHM-UHFFFAOYSA-N
XLogP1.68
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 55012416) is 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(Cc1cscn1)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is CXVLCWLNRPUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(6-9-7-19-8-13-9)11(18)14-12(10(16)17)4-2-3-5-12/h7-8H,2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55012416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).