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

C18H12N2O4S — CID 3263871

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2c1
InChIInChI=1S/C18H12N2O4S/c1-23-10-6-7-12-16(8-10)25-18(19-12)20-17(22)15-9-13(21)11-4-2-3-5-14(11)24-15/h2-9H,1H3,(H,19,20,22)
InChIKeyCVRFECMYQCCMKW-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.66
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 3263871) has the molecular formula C18H12N2O4S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID3263871
Molecular FormulaC18H12N2O4S
Molecular Weight352.37 g/mol
Exact Mass352.05
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2c1
InChIInChI=1S/C18H12N2O4S/c1-23-10-6-7-12-16(8-10)25-18(19-12)20-17(22)15-9-13(21)11-4-2-3-5-14(11)24-15/h2-9H,1H3,(H,19,20,22)
InChIKeyCVRFECMYQCCMKW-UHFFFAOYSA-N
XLogP3.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (CID 3263871) is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is COc1ccc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is CVRFECMYQCCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4S/c1-23-10-6-7-12-16(8-10)25-18(19-12)20-17(22)15-9-13(21)11-4-2-3-5-14(11)24-15/h2-9H,1H3,(H,19,20,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3263871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).