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

C18H15FN2O3S2 — CID 7835015

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate
SMILESCC(=O)N(c1nc(COC(=O)c2sccc2C)cs1)c1ccccc1F
InChIInChI=1S/C18H15FN2O3S2/c1-11-7-8-25-16(11)17(23)24-9-13-10-26-18(20-13)21(12(2)22)15-6-4-3-5-14(15)19/h3-8,10H,9H2,1-2H3
InChIKeyGMMDGBVCBLRHCP-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.69
Rot. Bonds5

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

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate (PubChem CID 7835015) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate
PubChem CID7835015
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate
SMILESCC(=O)N(c1nc(COC(=O)c2sccc2C)cs1)c1ccccc1F
InChIInChI=1S/C18H15FN2O3S2/c1-11-7-8-25-16(11)17(23)24-9-13-10-26-18(20-13)21(12(2)22)15-6-4-3-5-14(15)19/h3-8,10H,9H2,1-2H3
InChIKeyGMMDGBVCBLRHCP-UHFFFAOYSA-N
XLogP4.69
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate (CID 7835015) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate is CC(=O)N(c1nc(COC(=O)c2sccc2C)cs1)c1ccccc1F.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate?
The InChIKey is GMMDGBVCBLRHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-11-7-8-25-16(11)17(23)24-9-13-10-26-18(20-13)21(12(2)22)15-6-4-3-5-14(15)19/h3-8,10H,9H2,1-2H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 4.69, 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 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 7835015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).