N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C26H17F2N3O5S — CID 139337352

IUPACN-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc3cc(Oc4ccc(F)cc4)cc(Oc4ccc(F)cc4)c3s2)c1O
InChIInChI=1S/C26H17F2N3O5S/c1-34-20-10-11-29-22(23(20)32)25(33)31-26-30-19-12-18(35-16-6-2-14(27)3-7-16)13-21(24(19)37-26)36-17-8-4-15(28)5-9-17/h2-13,32H,1H3,(H,30,31,33)
InChIKeyOGSXZCAAIKYSEL-UHFFFAOYSA-N
MW521.50 g/mol
LogP6.52
Rot. Bonds7

About N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 139337352) has the molecular formula C26H17F2N3O5S and a molecular weight of 521.50 g/mol. Its IUPAC name is N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID139337352
Molecular FormulaC26H17F2N3O5S
Molecular Weight521.50 g/mol
Exact Mass521.09
IUPAC NameN-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc3cc(Oc4ccc(F)cc4)cc(Oc4ccc(F)cc4)c3s2)c1O
InChIInChI=1S/C26H17F2N3O5S/c1-34-20-10-11-29-22(23(20)32)25(33)31-26-30-19-12-18(35-16-6-2-14(27)3-7-16)13-21(24(19)37-26)36-17-8-4-15(28)5-9-17/h2-13,32H,1H3,(H,30,31,33)
InChIKeyOGSXZCAAIKYSEL-UHFFFAOYSA-N
XLogP6.52
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.50
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[2-(difluoromethoxy)phenoxy]-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 156811591
N-[6-(2-chloro-4-fluorophenoxy)-4-phenyl-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 139337374
[2-[[6-(3,5-difluorophenoxy)-1,3-benzothiazol-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 139337487
N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 139337371
3-hydroxy-4-methoxy-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 11244594
3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 139337383
3-hydroxy-4-methoxy-N-[3-methyl-4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 69497629
N-[2-(4-cyanophenoxy)phenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 18682227
3-hydroxy-4-methoxy-N-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 18681912
3-hydroxy-4-methoxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 21088884
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
1-(4-fluoro-2-phenoxyphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 155148765

Frequently Asked Questions

What is the IUPAC name of N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 139337352) is N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)Nc2nc3cc(Oc4ccc(F)cc4)cc(Oc4ccc(F)cc4)c3s2)c1O.
What is the InChIKey of N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is OGSXZCAAIKYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O5S/c1-34-20-10-11-29-22(23(20)32)25(33)31-26-30-19-12-18(35-16-6-2-14(27)3-7-16)13-21(24(19)37-26)36-17-8-4-15(28)5-9-17/h2-13,32H,1H3,(H,30,31,33).
What are the key properties of N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 521.50 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 139337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).