N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide

C19H13FN2O3S — CID 2026303

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)Nc3nc4ccc(F)cc4s3)cc(=O)c2c1
InChIInChI=1S/C19H13FN2O3S/c1-9-5-10(2)17-12(6-9)14(23)8-15(25-17)18(24)22-19-21-13-4-3-11(20)7-16(13)26-19/h3-8H,1-2H3,(H,21,22,24)
InChIKeyJBNVYBVFTPZIRE-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.41
Rot. Bonds2

About N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 2026303) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID2026303
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)Nc3nc4ccc(F)cc4s3)cc(=O)c2c1
InChIInChI=1S/C19H13FN2O3S/c1-9-5-10(2)17-12(6-9)14(23)8-15(25-17)18(24)22-19-21-13-4-3-11(20)7-16(13)26-19/h3-8H,1-2H3,(H,21,22,24)
InChIKeyJBNVYBVFTPZIRE-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 18854262
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 18164546
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylprop-2-enamide
CID 108739014
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)but-2-enamide
CID 108761712

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 2026303) is N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)Nc3nc4ccc(F)cc4s3)cc(=O)c2c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is JBNVYBVFTPZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c1-9-5-10(2)17-12(6-9)14(23)8-15(25-17)18(24)22-19-21-13-4-3-11(20)7-16(13)26-19/h3-8H,1-2H3,(H,21,22,24).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2026303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).