N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide

C17H11BrN2O2S — CID 75403675

IUPACN-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C17H11BrN2O2S/c1-9-8-13(18)22-15(9)16(21)20-17-19-14-11-5-3-2-4-10(11)6-7-12(14)23-17/h2-8H,1H3,(H,19,20,21)
InChIKeyYGLQDRISPRDWRK-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.37
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide

N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide (PubChem CID 75403675) has the molecular formula C17H11BrN2O2S and a molecular weight of 387.26 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
PubChem CID75403675
Molecular FormulaC17H11BrN2O2S
Molecular Weight387.26 g/mol
Exact Mass385.97
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C17H11BrN2O2S/c1-9-8-13(18)22-15(9)16(21)20-17-19-14-11-5-3-2-4-10(11)6-7-12(14)23-17/h2-8H,1H3,(H,19,20,21)
InChIKeyYGLQDRISPRDWRK-UHFFFAOYSA-N
XLogP5.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
CID 16616263
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-5-methyl-4-nitrothiophene-2-carboxamide
CID 39299357
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546
N-benzo[e][1,3]benzothiazol-2-yl-4-(methylsulfonylmethyl)benzamide
CID 8781134
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 3385821

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide (CID 75403675) is N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)Nc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide?
The InChIKey is YGLQDRISPRDWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2S/c1-9-8-13(18)22-15(9)16(21)20-17-19-14-11-5-3-2-4-10(11)6-7-12(14)23-17/h2-8H,1H3,(H,19,20,21).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide has a molecular weight of 387.26 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide is sourced from PubChem (CID 75403675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).