N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide

C19H14N2O4S — CID 3475700

IUPACN-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nc4ccccc4s3)c(=O)oc12
InChIInChI=1S/C19H14N2O4S/c1-2-24-14-8-5-6-11-10-12(18(23)25-16(11)14)17(22)21-19-20-13-7-3-4-9-15(13)26-19/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyGVHWSJMIEZKHTL-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.05
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide

N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide (PubChem CID 3475700) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
PubChem CID3475700
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nc4ccccc4s3)c(=O)oc12
InChIInChI=1S/C19H14N2O4S/c1-2-24-14-8-5-6-11-10-12(18(23)25-16(11)14)17(22)21-19-20-13-7-3-4-9-15(13)26-19/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyGVHWSJMIEZKHTL-UHFFFAOYSA-N
XLogP4.05
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
3-(1,3-benzothiazol-2-yl)-8-ethoxychromen-2-one
CID 934492
8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 121024370
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
N-[6-[(dimethylamino)methyl]-1,3-benzothiazol-2-yl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 175160658
3-acetyl-8-ethoxychromen-2-one
CID 3266617
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 41233085
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide (CID 3475700) is N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3nc4ccccc4s3)c(=O)oc12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide?
The InChIKey is GVHWSJMIEZKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-2-24-14-8-5-6-11-10-12(18(23)25-16(11)14)17(22)21-19-20-13-7-3-4-9-15(13)26-19/h3-10H,2H2,1H3,(H,20,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3475700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).