N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide

C20H14FN3OS — CID 71609204

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1-c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C20H14FN3OS/c1-12-3-2-10-22-18(12)13-4-6-14(7-5-13)19(25)24-20-23-16-9-8-15(21)11-17(16)26-20/h2-11H,1H3,(H,23,24,25)
InChIKeyORRNNICCESLYFP-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.06
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide (PubChem CID 71609204) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide
PubChem CID71609204
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1-c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C20H14FN3OS/c1-12-3-2-10-22-18(12)13-4-6-14(7-5-13)19(25)24-20-23-16-9-8-15(21)11-17(16)26-20/h2-11H,1H3,(H,23,24,25)
InChIKeyORRNNICCESLYFP-UHFFFAOYSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(2R)-2,3-dihydroxypropyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 71609695
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
4-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 89409972
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylprop-2-enamide
CID 108739014
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide (CID 71609204) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1-c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is ORRNNICCESLYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c1-12-3-2-10-22-18(12)13-4-6-14(7-5-13)19(25)24-20-23-16-9-8-15(21)11-17(16)26-20/h2-11H,1H3,(H,23,24,25).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 71609204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).