N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide

C19H12FN3OS — CID 112772428

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cccc(F)c1
InChIInChI=1S/C19H12FN3OS/c20-14-5-3-4-12(10-14)18(24)23-17-9-8-13(11-21-17)19-22-15-6-1-2-7-16(15)25-19/h1-11H,(H,21,23,24)
InChIKeyXZZKITIBBWHDSO-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.75
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide (PubChem CID 112772428) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
PubChem CID112772428
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cccc(F)c1
InChIInChI=1S/C19H12FN3OS/c20-14-5-3-4-12(10-14)18(24)23-17-9-8-13(11-21-17)19-22-15-6-1-2-7-16(15)25-19/h1-11H,(H,21,23,24)
InChIKeyXZZKITIBBWHDSO-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2,3,4,5-tetrafluorobenzamide
CID 112772707
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-nitrobenzamide
CID 112771297
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 112806736
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-bromo-2-chlorobenzamide
CID 112772424
5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
CID 166362097
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
CID 112772419
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-methylsulfanyl-2-nitrobenzamide
CID 112803632
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 112799463
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 71724918

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide (CID 112772428) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cccc(F)c1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is XZZKITIBBWHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-14-5-3-4-12(10-14)18(24)23-17-9-8-13(11-21-17)19-22-15-6-1-2-7-16(15)25-19/h1-11H,(H,21,23,24).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide has a molecular weight of 349.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 112772428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).