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

C21H12N2O3S — CID 5198281

IUPACN-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1coc2ccccc2c1=O
InChIInChI=1S/C21H12N2O3S/c24-19-14-7-3-4-8-16(14)26-11-15(19)20(25)23-21-22-18-13-6-2-1-5-12(13)9-10-17(18)27-21/h1-11H,(H,22,23,25)
InChIKeyYNVDZFPMKSPPII-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.81
Rot. Bonds2

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

N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide (PubChem CID 5198281) 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-3-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
PubChem CID5198281
Molecular FormulaC21H12N2O3S
Molecular Weight372.41 g/mol
Exact Mass372.06
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1coc2ccccc2c1=O
InChIInChI=1S/C21H12N2O3S/c24-19-14-7-3-4-8-16(14)26-11-15(19)20(25)23-21-22-18-13-6-2-1-5-12(13)9-10-17(18)27-21/h1-11H,(H,22,23,25)
InChIKeyYNVDZFPMKSPPII-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-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
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-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 7172929
4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202907
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4152783
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
CID 16616263
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4156836

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide (CID 5198281) is N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)c1coc2ccccc2c1=O.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide?
The InChIKey is YNVDZFPMKSPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O3S/c24-19-14-7-3-4-8-16(14)26-11-15(19)20(25)23-21-22-18-13-6-2-1-5-12(13)9-10-17(18)27-21/h1-11H,(H,22,23,25).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-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-3-carboxamide is sourced from PubChem (CID 5198281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).