N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide

C21H12N2O3S — CID 3638256

IUPACN-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H12N2O3S/c24-15-11-17(26-16-8-4-3-7-14(15)16)20(25)23-21-22-19-13-6-2-1-5-12(13)9-10-18(19)27-21/h1-11H,(H,22,23,25)
InChIKeyBOZMJYASCQJPGW-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.81
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide

N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide (PubChem CID 3638256) has the molecular formula C21H12N2O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
PubChem CID3638256
Molecular FormulaC21H12N2O3S
Molecular Weight372.41 g/mol
Exact Mass372.06
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H12N2O3S/c24-15-11-17(26-16-8-4-3-7-14(15)16)20(25)23-21-22-19-13-6-2-1-5-12(13)9-10-18(19)27-21/h1-11H,(H,22,23,25)
InChIKeyBOZMJYASCQJPGW-UHFFFAOYSA-N
XLogP4.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 7193218
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 3477736
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
CID 7105566
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-3-carboxamide
CID 5198281
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4072632
N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
CID 75403675
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 78778902
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
CID 102989525
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide (CID 3638256) is N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide?
The InChIKey is BOZMJYASCQJPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O3S/c24-15-11-17(26-16-8-4-3-7-14(15)16)20(25)23-21-22-19-13-6-2-1-5-12(13)9-10-18(19)27-21/h1-11H,(H,22,23,25).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3638256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).