N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

C18H13FN2O2S2 — CID 8006848

IUPACN-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCc1nc2c(cc(OCC(=O)Nc3ccc(F)cc3)c3ccsc32)s1
InChIInChI=1S/C18H13FN2O2S2/c1-10-20-17-15(25-10)8-14(13-6-7-24-18(13)17)23-9-16(22)21-12-4-2-11(19)3-5-12/h2-8H,9H2,1H3,(H,21,22)
InChIKeyNEZXGEHZFQBUQE-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.98
Rot. Bonds4

About N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (PubChem CID 8006848) has the molecular formula C18H13FN2O2S2 and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
PubChem CID8006848
Molecular FormulaC18H13FN2O2S2
Molecular Weight372.45 g/mol
Exact Mass372.04
IUPAC NameN-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCc1nc2c(cc(OCC(=O)Nc3ccc(F)cc3)c3ccsc32)s1
InChIInChI=1S/C18H13FN2O2S2/c1-10-20-17-15(25-10)8-14(13-6-7-24-18(13)17)23-9-16(22)21-12-4-2-11(19)3-5-12/h2-8H,9H2,1H3,(H,21,22)
InChIKeyNEZXGEHZFQBUQE-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (CID 8006848) is N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is Cc1nc2c(cc(OCC(=O)Nc3ccc(F)cc3)c3ccsc32)s1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The InChIKey is NEZXGEHZFQBUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S2/c1-10-20-17-15(25-10)8-14(13-6-7-24-18(13)17)23-9-16(22)21-12-4-2-11(19)3-5-12/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide has a molecular weight of 372.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is sourced from PubChem (CID 8006848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).