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

C14H14N2O2S2 — CID 784882

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3cccs3)nc2C1
InChIInChI=1S/C14H14N2O2S2/c1-14(2)6-8-11(9(17)7-14)20-13(15-8)16-12(18)10-4-3-5-19-10/h3-5H,6-7H2,1-2H3,(H,15,16,18)
InChIKeyRPDVHHLKHNIXSL-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.61
Rot. Bonds2

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

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 784882) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID784882
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3cccs3)nc2C1
InChIInChI=1S/C14H14N2O2S2/c1-14(2)6-8-11(9(17)7-14)20-13(15-8)16-12(18)10-4-3-5-19-10/h3-5H,6-7H2,1-2H3,(H,15,16,18)
InChIKeyRPDVHHLKHNIXSL-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)thiophene-2-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 784882) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)c3cccs3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is RPDVHHLKHNIXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-14(2)6-8-11(9(17)7-14)20-13(15-8)16-12(18)10-4-3-5-19-10/h3-5H,6-7H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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)thiophene-2-carboxamide is sourced from PubChem (CID 784882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).