N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide

C20H15FN4O2S — CID 54612749

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C20H15FN4O2S/c1-27-14-7-5-13(6-8-14)23-18-15(3-2-10-22-18)19(26)25-20-24-16-9-4-12(21)11-17(16)28-20/h2-11H,1H3,(H,22,23)(H,24,25,26)
InChIKeyFSJWTRRHKDNLAU-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.83
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 54612749) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID54612749
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C20H15FN4O2S/c1-27-14-7-5-13(6-8-14)23-18-15(3-2-10-22-18)19(26)25-20-24-16-9-4-12(21)11-17(16)28-20/h2-11H,1H3,(H,22,23)(H,24,25,26)
InChIKeyFSJWTRRHKDNLAU-UHFFFAOYSA-N
XLogP4.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoroanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 57394068
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 18854016
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
CID 110701475
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7733353
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide (CID 54612749) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)Nc2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is FSJWTRRHKDNLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-14-7-5-13(6-8-14)23-18-15(3-2-10-22-18)19(26)25-20-24-16-9-4-12(21)11-17(16)28-20/h2-11H,1H3,(H,22,23)(H,24,25,26).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 54612749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).