2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

C14H19N3O3S — CID 58031441

IUPAC2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(CC3CCCC3)C2=O)sc1C(=O)O
InChIInChI=1S/C14H19N3O3S/c1-9-11(12(18)19)21-13(15-9)17-7-6-16(14(17)20)8-10-4-2-3-5-10/h10H,2-8H2,1H3,(H,18,19)
InChIKeyAVKKINVPOSAAMU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.58
Rot. Bonds4

About 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 58031441) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID58031441
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(CC3CCCC3)C2=O)sc1C(=O)O
InChIInChI=1S/C14H19N3O3S/c1-9-11(12(18)19)21-13(15-9)17-7-6-16(14(17)20)8-10-4-2-3-5-10/h10H,2-8H2,1H3,(H,18,19)
InChIKeyAVKKINVPOSAAMU-UHFFFAOYSA-N
XLogP2.58
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031478
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 59481204
2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031393
1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 58031436
4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 66661593
4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 68882034
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118
ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 58031520
4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 83061710
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59481304
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 58031441) is 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCN(CC3CCCC3)C2=O)sc1C(=O)O.
What is the InChIKey of 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is AVKKINVPOSAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-11(12(18)19)21-13(15-9)17-7-6-16(14(17)20)8-10-4-2-3-5-10/h10H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).