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

C17H15N3O2S2 — CID 162666834

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3nc4ccccc4s3)nc2C1
InChIInChI=1S/C17H15N3O2S2/c1-17(2)7-10-13(11(21)8-17)24-16(19-10)20-14(22)15-18-9-5-3-4-6-12(9)23-15/h3-6H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyUJTSVORFZFSIDL-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.16
Rot. Bonds2

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

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 162666834) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID162666834
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3nc4ccccc4s3)nc2C1
InChIInChI=1S/C17H15N3O2S2/c1-17(2)7-10-13(11(21)8-17)24-16(19-10)20-14(22)15-18-9-5-3-4-6-12(9)23-15/h3-6H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyUJTSVORFZFSIDL-UHFFFAOYSA-N
XLogP4.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.16
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)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (CID 162666834) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)c3nc4ccccc4s3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is UJTSVORFZFSIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-17(2)7-10-13(11(21)8-17)24-16(19-10)20-14(22)15-18-9-5-3-4-6-12(9)23-15/h3-6H,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.16, 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)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 162666834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).