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

C18H12N2O4S — CID 3477736

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc12
InChIInChI=1S/C18H12N2O4S/c1-23-13-7-4-8-15-16(13)19-18(25-15)20-17(22)14-9-11(21)10-5-2-3-6-12(10)24-14/h2-9H,1H3,(H,19,20,22)
InChIKeyHENVZFLTOCUONL-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.66
Rot. Bonds3

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

N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 3477736) has the molecular formula C18H12N2O4S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID3477736
Molecular FormulaC18H12N2O4S
Molecular Weight352.37 g/mol
Exact Mass352.05
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc12
InChIInChI=1S/C18H12N2O4S/c1-23-13-7-4-8-15-16(13)19-18(25-15)20-17(22)14-9-11(21)10-5-2-3-6-12(10)24-14/h2-9H,1H3,(H,19,20,22)
InChIKeyHENVZFLTOCUONL-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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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 7193218
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 17444658
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
CID 7105566
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 2799186
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
2-(diaminomethylideneamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 15050506
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (CID 3477736) is N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is COc1cccc2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is HENVZFLTOCUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4S/c1-23-13-7-4-8-15-16(13)19-18(25-15)20-17(22)14-9-11(21)10-5-2-3-6-12(10)24-14/h2-9H,1H3,(H,19,20,22).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(4-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-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3477736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).