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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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).