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

C19H16F3N3O3S — CID 75405062

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)nc2C1
InChIInChI=1S/C19H16F3N3O3S/c1-18(2)7-13-15(14(26)8-18)29-17(24-13)25-16(27)12-5-9-3-4-10(6-11(9)23-12)28-19(20,21)22/h3-6,23H,7-8H2,1-2H3,(H,24,25,27)
InChIKeyLHVSNSDJPYXYDE-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.93
Rot. Bonds3

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

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 75405062) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID75405062
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)nc2C1
InChIInChI=1S/C19H16F3N3O3S/c1-18(2)7-13-15(14(26)8-18)29-17(24-13)25-16(27)12-5-9-3-4-10(6-11(9)23-12)28-19(20,21)22/h3-6,23H,7-8H2,1-2H3,(H,24,25,27)
InChIKeyLHVSNSDJPYXYDE-UHFFFAOYSA-N
XLogP4.93
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587211
tert-butyl N-[4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate
CID 55732039
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-2-carboxamide
CID 60510906
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 3206740
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 55647168
3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 55647137
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 94652955
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4163956
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 1307354
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 55850540
N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 166236291
5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
CID 75495923

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 75405062) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is LHVSNSDJPYXYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-18(2)7-13-15(14(26)8-18)29-17(24-13)25-16(27)12-5-9-3-4-10(6-11(9)23-12)28-19(20,21)22/h3-6,23H,7-8H2,1-2H3,(H,24,25,27).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 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)-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 75405062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).