2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide

C12H9N3O3S — CID 166404520

IUPAC2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc2c1CNC2=O)c1csc(=O)[nH]1
InChIInChI=1S/C12H9N3O3S/c16-10-6-2-1-3-8(7(6)4-13-10)14-11(17)9-5-19-12(18)15-9/h1-3,5H,4H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyRCSPEDFMWMPVDW-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.93
Rot. Bonds2

About 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide

2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide (PubChem CID 166404520) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide
PubChem CID166404520
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc2c1CNC2=O)c1csc(=O)[nH]1
InChIInChI=1S/C12H9N3O3S/c16-10-6-2-1-3-8(7(6)4-13-10)14-11(17)9-5-19-12(18)15-9/h1-3,5H,4H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyRCSPEDFMWMPVDW-UHFFFAOYSA-N
XLogP0.93
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide (CID 166404520) is 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide is O=C(Nc1cccc2c1CNC2=O)c1csc(=O)[nH]1.
What is the InChIKey of 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide?
The InChIKey is RCSPEDFMWMPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-10-6-2-1-3-8(7(6)4-13-10)14-11(17)9-5-19-12(18)15-9/h1-3,5H,4H2,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide?
2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166404520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).