2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide

C19H13F2N3O3S2 — CID 56570758

IUPAC2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
SMILESCc1nc2c(cc(OCC(=O)Nc3cc(C(N)=O)c(F)cc3F)c3ccsc32)s1
InChIInChI=1S/C19H13F2N3O3S2/c1-8-23-17-15(29-8)6-14(9-2-3-28-18(9)17)27-7-16(25)24-13-4-10(19(22)26)11(20)5-12(13)21/h2-6H,7H2,1H3,(H2,22,26)(H,24,25)
InChIKeyLDANIVQHHMLJRK-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.21
Rot. Bonds5

About 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide

2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide (PubChem CID 56570758) has the molecular formula C19H13F2N3O3S2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
PubChem CID56570758
Molecular FormulaC19H13F2N3O3S2
Molecular Weight433.46 g/mol
Exact Mass433.04
IUPAC Name2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
SMILESCc1nc2c(cc(OCC(=O)Nc3cc(C(N)=O)c(F)cc3F)c3ccsc32)s1
InChIInChI=1S/C19H13F2N3O3S2/c1-8-23-17-15(29-8)6-14(9-2-3-28-18(9)17)27-7-16(25)24-13-4-10(19(22)26)11(20)5-12(13)21/h2-6H,7H2,1H3,(H2,22,26)(H,24,25)
InChIKeyLDANIVQHHMLJRK-UHFFFAOYSA-N
XLogP4.21
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55704458
N-(5-acetamido-2-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55706842
2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
CID 46489302
2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
CID 55694116
1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
CID 75479913
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 51173449
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[(2S)-oxan-2-yl]oxyacetamide
CID 95143080
5-bromo-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]thiophene-2-carbohydrazide
CID 55694017
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4786981
2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
CID 63576313
N-(2-methoxy-2-phenylethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 60543734
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 55989911

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide (CID 56570758) is 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide is Cc1nc2c(cc(OCC(=O)Nc3cc(C(N)=O)c(F)cc3F)c3ccsc32)s1.
What is the InChIKey of 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide?
The InChIKey is LDANIVQHHMLJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3S2/c1-8-23-17-15(29-8)6-14(9-2-3-28-18(9)17)27-7-16(25)24-13-4-10(19(22)26)11(20)5-12(13)21/h2-6H,7H2,1H3,(H2,22,26)(H,24,25).
What are the key properties of 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide?
2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide has a molecular weight of 433.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 56570758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).