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

C17H13FN4O3S — CID 7985448

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate
SMILESCC(=O)N(c1nc(COC(=O)c2cnccn2)cs1)c1ccccc1F
InChIInChI=1S/C17H13FN4O3S/c1-11(23)22(15-5-3-2-4-13(15)18)17-21-12(10-26-17)9-25-16(24)14-8-19-6-7-20-14/h2-8,10H,9H2,1H3
InChIKeyXAOWDPYSNNSRLJ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.11
Rot. Bonds5

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

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate (PubChem CID 7985448) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate
PubChem CID7985448
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate
SMILESCC(=O)N(c1nc(COC(=O)c2cnccn2)cs1)c1ccccc1F
InChIInChI=1S/C17H13FN4O3S/c1-11(23)22(15-5-3-2-4-13(15)18)17-21-12(10-26-17)9-25-16(24)14-8-19-6-7-20-14/h2-8,10H,9H2,1H3
InChIKeyXAOWDPYSNNSRLJ-UHFFFAOYSA-N
XLogP3.11
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate (CID 7985448) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate is CC(=O)N(c1nc(COC(=O)c2cnccn2)cs1)c1ccccc1F.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate?
The InChIKey is XAOWDPYSNNSRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-11(23)22(15-5-3-2-4-13(15)18)17-21-12(10-26-17)9-25-16(24)14-8-19-6-7-20-14/h2-8,10H,9H2,1H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl pyrazine-2-carboxylate is sourced from PubChem (CID 7985448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).