N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide

C19H13N3O4S — CID 4138821

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1
InChIInChI=1S/C19H13N3O4S/c1-10(23)20-11-6-7-14-16(8-11)27-19(21-14)22-18(25)13-9-26-15-5-3-2-4-12(15)17(13)24/h2-9H,1H3,(H,20,23)(H,21,22,25)
InChIKeyGPWZQQXJXLGEIZ-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.61
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide (PubChem CID 4138821) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
PubChem CID4138821
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1
InChIInChI=1S/C19H13N3O4S/c1-10(23)20-11-6-7-14-16(8-11)27-19(21-14)22-18(25)13-9-26-15-5-3-2-4-12(15)17(13)24/h2-9H,1H3,(H,20,23)(H,21,22,25)
InChIKeyGPWZQQXJXLGEIZ-UHFFFAOYSA-N
XLogP3.61
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202907
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide
CID 29359511

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide (CID 4138821) is N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide?
The InChIKey is GPWZQQXJXLGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c1-10(23)20-11-6-7-14-16(8-11)27-19(21-14)22-18(25)13-9-26-15-5-3-2-4-12(15)17(13)24/h2-9H,1H3,(H,20,23)(H,21,22,25).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 4138821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).