2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide

C21H18FN3O3S2 — CID 56569582

IUPAC2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide
SMILESCc1nc2c(cc(OCC(=O)N(C)C(C(N)=O)c3cccc(F)c3)c3ccsc32)s1
InChIInChI=1S/C21H18FN3O3S2/c1-11-24-18-16(30-11)9-15(14-6-7-29-20(14)18)28-10-17(26)25(2)19(21(23)27)12-4-3-5-13(22)8-12/h3-9,19H,10H2,1-2H3,(H2,23,27)
InChIKeyYPOHWDWEGDGSLW-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide

2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide (PubChem CID 56569582) has the molecular formula C21H18FN3O3S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide
PubChem CID56569582
Molecular FormulaC21H18FN3O3S2
Molecular Weight443.53 g/mol
Exact Mass443.08
IUPAC Name2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide
SMILESCc1nc2c(cc(OCC(=O)N(C)C(C(N)=O)c3cccc(F)c3)c3ccsc32)s1
InChIInChI=1S/C21H18FN3O3S2/c1-11-24-18-16(30-11)9-15(14-6-7-29-20(14)18)28-10-17(26)25(2)19(21(23)27)12-4-3-5-13(22)8-12/h3-9,19H,10H2,1-2H3,(H2,23,27)
InChIKeyYPOHWDWEGDGSLW-UHFFFAOYSA-N
XLogP4.02
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide (CID 56569582) is 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide is Cc1nc2c(cc(OCC(=O)N(C)C(C(N)=O)c3cccc(F)c3)c3ccsc32)s1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide?
The InChIKey is YPOHWDWEGDGSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S2/c1-11-24-18-16(30-11)9-15(14-6-7-29-20(14)18)28-10-17(26)25(2)19(21(23)27)12-4-3-5-13(22)8-12/h3-9,19H,10H2,1-2H3,(H2,23,27).
What are the key properties of 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide?
2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide is sourced from PubChem (CID 56569582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).