2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H19N3O3S — CID 64815807

IUPAC2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(NC(=O)NC1CCCC1C(=O)O)c1nccs1
InChIInChI=1S/C13H19N3O3S/c1-2-9(11-14-6-7-20-11)15-13(19)16-10-5-3-4-8(10)12(17)18/h6-10H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyGESIGQYGJQYAHE-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.15
Rot. Bonds5

About 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815807) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815807
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(NC(=O)NC1CCCC1C(=O)O)c1nccs1
InChIInChI=1S/C13H19N3O3S/c1-2-9(11-14-6-7-20-11)15-13(19)16-10-5-3-4-8(10)12(17)18/h6-10H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyGESIGQYGJQYAHE-UHFFFAOYSA-N
XLogP2.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240579
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111506596
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 79384523
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
1-(1,3-oxazol-2-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97307926
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64815807) is 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid is CCC(NC(=O)NC1CCCC1C(=O)O)c1nccs1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GESIGQYGJQYAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-9(11-14-6-7-20-11)15-13(19)16-10-5-3-4-8(10)12(17)18/h6-10H,2-5H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).