4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide

C20H16N2O3S — CID 7202907

IUPAC4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
SMILESCC(C)c1ccc2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1
InChIInChI=1S/C20H16N2O3S/c1-11(2)12-7-8-15-17(9-12)26-20(21-15)22-19(24)14-10-25-16-6-4-3-5-13(16)18(14)23/h3-11H,1-2H3,(H,21,22,24)
InChIKeyZUEAOHQROAFBAL-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.78
Rot. Bonds3

About 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide

4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide (PubChem CID 7202907) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
PubChem CID7202907
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
SMILESCC(C)c1ccc2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1
InChIInChI=1S/C20H16N2O3S/c1-11(2)12-7-8-15-17(9-12)26-20(21-15)22-19(24)14-10-25-16-6-4-3-5-13(16)18(14)23/h3-11H,1-2H3,(H,21,22,24)
InChIKeyZUEAOHQROAFBAL-UHFFFAOYSA-N
XLogP4.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.78
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
2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202864
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 7172929
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
(E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805857
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235435

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide (CID 7202907) is 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide is CC(C)c1ccc2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1.
What is the InChIKey of 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
The InChIKey is ZUEAOHQROAFBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-11(2)12-7-8-15-17(9-12)26-20(21-15)22-19(24)14-10-25-16-6-4-3-5-13(16)18(14)23/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 7202907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).