N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide

C20H14FN3O2S — CID 167844091

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccnc1F
InChIInChI=1S/C20H14FN3O2S/c1-26-17-13(10-11-22-18(17)21)19(25)23-14-7-3-2-6-12(14)20-24-15-8-4-5-9-16(15)27-20/h2-11H,1H3,(H,23,25)
InChIKeyZBGDKPZULCXXHU-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.76
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide (PubChem CID 167844091) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide
PubChem CID167844091
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccnc1F
InChIInChI=1S/C20H14FN3O2S/c1-26-17-13(10-11-22-18(17)21)19(25)23-14-7-3-2-6-12(14)20-24-15-8-4-5-9-16(15)27-20/h2-11H,1H3,(H,23,25)
InChIKeyZBGDKPZULCXXHU-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2235201
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17116598
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2235183
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 26181544
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 2214190
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-methoxybenzamide
CID 3381705
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3907645
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 26181557
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45029639
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide (CID 167844091) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide is COc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccnc1F.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide?
The InChIKey is ZBGDKPZULCXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-26-17-13(10-11-22-18(17)21)19(25)23-14-7-3-2-6-12(14)20-24-15-8-4-5-9-16(15)27-20/h2-11H,1H3,(H,23,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 167844091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).