N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H19N3O4S — CID 24600032

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1cc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)sc2cc1OC
InChIInChI=1S/C19H19N3O4S/c1-9-16-10(5-4-6-12(16)23)20-17(9)18(24)22-19-21-11-7-13(25-2)14(26-3)8-15(11)27-19/h7-8,20H,4-6H2,1-3H3,(H,21,22,24)
InChIKeyOWZUVTDBRGCHSY-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.72
Rot. Bonds4

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 24600032) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID24600032
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1cc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)sc2cc1OC
InChIInChI=1S/C19H19N3O4S/c1-9-16-10(5-4-6-12(16)23)20-17(9)18(24)22-19-21-11-7-13(25-2)14(26-3)8-15(11)27-19/h7-8,20H,4-6H2,1-3H3,(H,21,22,24)
InChIKeyOWZUVTDBRGCHSY-UHFFFAOYSA-N
XLogP3.72
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 24600032) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is COc1cc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is OWZUVTDBRGCHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-9-16-10(5-4-6-12(16)23)20-17(9)18(24)22-19-21-11-7-13(25-2)14(26-3)8-15(11)27-19/h7-8,20H,4-6H2,1-3H3,(H,21,22,24).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 24600032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).