[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate

C20H14FN3O3S — CID 91641780

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C20H14FN3O3S/c21-13-4-1-5-14(10-13)23-18-16(6-2-8-22-18)20(25)27-11-15-12-28-19(24-15)17-7-3-9-26-17/h1-10,12H,11H2,(H,22,23)
InChIKeyLOLSITDHBOZGCI-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.04
Rot. Bonds6

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate (PubChem CID 91641780) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate
PubChem CID91641780
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C20H14FN3O3S/c21-13-4-1-5-14(10-13)23-18-16(6-2-8-22-18)20(25)27-11-15-12-28-19(24-15)17-7-3-9-26-17/h1-10,12H,11H2,(H,22,23)
InChIKeyLOLSITDHBOZGCI-UHFFFAOYSA-N
XLogP5.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55528539
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
CID 32757862
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55514433
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 32913848
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid
CID 81438950
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7814672
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539435

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate (CID 91641780) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate is O=C(OCc1csc(-c2ccco2)n1)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is LOLSITDHBOZGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-13-4-1-5-14(10-13)23-18-16(6-2-8-22-18)20(25)27-11-15-12-28-19(24-15)17-7-3-9-26-17/h1-10,12H,11H2,(H,22,23).
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 91641780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).