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

C15H13N5O4S — CID 58031393

IUPAC2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(Cc3ccc4nonc4c3)C2=O)sc1C(=O)O
InChIInChI=1S/C15H13N5O4S/c1-8-12(13(21)22)25-14(16-8)20-5-4-19(15(20)23)7-9-2-3-10-11(6-9)18-24-17-10/h2-3,6H,4-5,7H2,1H3,(H,21,22)
InChIKeyIUHOAVXCEIJBJZ-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.13
Rot. Bonds4

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

2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 58031393) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID58031393
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(Cc3ccc4nonc4c3)C2=O)sc1C(=O)O
InChIInChI=1S/C15H13N5O4S/c1-8-12(13(21)22)25-14(16-8)20-5-4-19(15(20)23)7-9-2-3-10-11(6-9)18-24-17-10/h2-3,6H,4-5,7H2,1H3,(H,21,22)
InChIKeyIUHOAVXCEIJBJZ-UHFFFAOYSA-N
XLogP2.13
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 58031393) is 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCN(Cc3ccc4nonc4c3)C2=O)sc1C(=O)O.
What is the InChIKey of 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is IUHOAVXCEIJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-8-12(13(21)22)25-14(16-8)20-5-4-19(15(20)23)7-9-2-3-10-11(6-9)18-24-17-10/h2-3,6H,4-5,7H2,1H3,(H,21,22).
What are the key properties of 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 359.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58031393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).