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

C20H16N2O3S — CID 4975352

IUPAC6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3nc4ccc(C)cc4s3)cc(=O)c2c1
InChIInChI=1S/C20H16N2O3S/c1-3-12-5-7-16-13(9-12)15(23)10-17(25-16)19(24)22-20-21-14-6-4-11(2)8-18(14)26-20/h4-10H,3H2,1-2H3,(H,21,22,24)
InChIKeyUOZNAPMGGNAWMY-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.53
Rot. Bonds3

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

6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4975352) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4975352
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3nc4ccc(C)cc4s3)cc(=O)c2c1
InChIInChI=1S/C20H16N2O3S/c1-3-12-5-7-16-13(9-12)15(23)10-17(25-16)19(24)22-20-21-14-6-4-11(2)8-18(14)26-20/h4-10H,3H2,1-2H3,(H,21,22,24)
InChIKeyUOZNAPMGGNAWMY-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241153
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 2026303
N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
CID 51064565
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 1250236
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42226983
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 20897494
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415531
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4975352) is 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is CCc1ccc2oc(C(=O)Nc3nc4ccc(C)cc4s3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is UOZNAPMGGNAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-3-12-5-7-16-13(9-12)15(23)10-17(25-16)19(24)22-20-21-14-6-4-11(2)8-18(14)26-20/h4-10H,3H2,1-2H3,(H,21,22,24).
What are the key properties of 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4975352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).