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

C13H16N2O2S — CID 3152380

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1
InChIInChI=1S/C13H16N2O2S/c1-13(2)5-8-10(9(16)6-13)18-12(14-8)15-11(17)7-3-4-7/h7H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyJSZTYNSVTXTYHG-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.65
Rot. Bonds2

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

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 3152380) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID3152380
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1
InChIInChI=1S/C13H16N2O2S/c1-13(2)5-8-10(9(16)6-13)18-12(14-8)15-11(17)7-3-4-7/h7H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyJSZTYNSVTXTYHG-UHFFFAOYSA-N
XLogP2.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)cyclopropanecarboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 3152380) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is CC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is JSZTYNSVTXTYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2)5-8-10(9(16)6-13)18-12(14-8)15-11(17)7-3-4-7/h7H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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)cyclopropanecarboxamide is sourced from PubChem (CID 3152380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).