N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide

C13H13N3O3S — CID 18587211

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccno3)nc2C1
InChIInChI=1S/C13H13N3O3S/c1-13(2)5-7-10(8(17)6-13)20-12(15-7)16-11(18)9-3-4-14-19-9/h3-4H,5-6H2,1-2H3,(H,15,16,18)
InChIKeyZHFJDFUFNYRCMO-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.54
Rot. Bonds2

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 18587211) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID18587211
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccno3)nc2C1
InChIInChI=1S/C13H13N3O3S/c1-13(2)5-7-10(8(17)6-13)20-12(15-7)16-11(18)9-3-4-14-19-9/h3-4H,5-6H2,1-2H3,(H,15,16,18)
InChIKeyZHFJDFUFNYRCMO-UHFFFAOYSA-N
XLogP2.54
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 18587211) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)c3ccno3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZHFJDFUFNYRCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-13(2)5-7-10(8(17)6-13)20-12(15-7)16-11(18)9-3-4-14-19-9/h3-4H,5-6H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).