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

C18H14FN3O3S — CID 7775984

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
SMILESCC(=O)N(c1nc(COC(=O)c2ccccn2)cs1)c1ccccc1F
InChIInChI=1S/C18H14FN3O3S/c1-12(23)22(16-8-3-2-6-14(16)19)18-21-13(11-26-18)10-25-17(24)15-7-4-5-9-20-15/h2-9,11H,10H2,1H3
InChIKeyJQLABDUCVMZPRD-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.72
Rot. Bonds5

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

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate (PubChem CID 7775984) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
PubChem CID7775984
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
SMILESCC(=O)N(c1nc(COC(=O)c2ccccn2)cs1)c1ccccc1F
InChIInChI=1S/C18H14FN3O3S/c1-12(23)22(16-8-3-2-6-14(16)19)18-21-13(11-26-18)10-25-17(24)15-7-4-5-9-20-15/h2-9,11H,10H2,1H3
InChIKeyJQLABDUCVMZPRD-UHFFFAOYSA-N
XLogP3.72
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
Pyridine-2-carboxylic acid thiazol-2-ylcarbamoylmethyl ester
CID 652523
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
CID 29805365
CID 29805365
Acetic acid 6-(thiazol-2-ylcarbamoyl)-pyridin-2-ylmethyl ester
CID 44391681
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
CID 8634240
Ethyl 2-[(6-pyridin-2-ylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 177648593
Methyl 6-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)pyridine-2-carboxylate
CID 177650126
[3-(5-Fluoro-1,3-thiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] pyridine-2-carboxylate
CID 21413281
Methyl 2-(3-methylisonicotinamido)-5-(3-(trifluoromethyl)phenyl)thiazole-4-carboxylate
CID 24765115
Methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 24765117
Methyl 2-(pyridine-4-carbonylamino)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 59004548

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate (CID 7775984) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate is CC(=O)N(c1nc(COC(=O)c2ccccn2)cs1)c1ccccc1F.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
The InChIKey is JQLABDUCVMZPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-12(23)22(16-8-3-2-6-14(16)19)18-21-13(11-26-18)10-25-17(24)15-7-4-5-9-20-15/h2-9,11H,10H2,1H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate is sourced from PubChem (CID 7775984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).