2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid

C13H19N3O3S — CID 67001649

IUPAC2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCCCN1C(=O)N(c2ncc(C(=O)O)s2)CC1C
InChIInChI=1S/C13H19N3O3S/c1-3-4-5-6-15-9(2)8-16(13(15)19)12-14-7-10(20-12)11(17)18/h7,9H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyOWALMNRTHHEWBY-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 67001649) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID67001649
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCCCN1C(=O)N(c2ncc(C(=O)O)s2)CC1C
InChIInChI=1S/C13H19N3O3S/c1-3-4-5-6-15-9(2)8-16(13(15)19)12-14-7-10(20-12)11(17)18/h7,9H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyOWALMNRTHHEWBY-UHFFFAOYSA-N
XLogP2.66
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 67001649) is 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid is CCCCCN1C(=O)N(c2ncc(C(=O)O)s2)CC1C.
What is the InChIKey of 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OWALMNRTHHEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-4-5-6-15-9(2)8-16(13(15)19)12-14-7-10(20-12)11(17)18/h7,9H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 67001649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).