2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide

C19H14FN3O3S2 — CID 46489302

IUPAC2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
SMILESCc1nc2c(cc(OCC(=O)NNC(=O)c3ccccc3F)c3ccsc32)s1
InChIInChI=1S/C19H14FN3O3S2/c1-10-21-17-15(28-10)8-14(12-6-7-27-18(12)17)26-9-16(24)22-23-19(25)11-4-2-3-5-13(11)20/h2-8H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyQJSHGMHHETUHQW-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.80
Rot. Bonds4

About 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide

2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide (PubChem CID 46489302) has the molecular formula C19H14FN3O3S2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
PubChem CID46489302
Molecular FormulaC19H14FN3O3S2
Molecular Weight415.47 g/mol
Exact Mass415.05
IUPAC Name2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
SMILESCc1nc2c(cc(OCC(=O)NNC(=O)c3ccccc3F)c3ccsc32)s1
InChIInChI=1S/C19H14FN3O3S2/c1-10-21-17-15(28-10)8-14(12-6-7-27-18(12)17)26-9-16(24)22-23-19(25)11-4-2-3-5-13(11)20/h2-8H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyQJSHGMHHETUHQW-UHFFFAOYSA-N
XLogP3.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
CID 75479913
5-bromo-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]thiophene-2-carbohydrazide
CID 55694017
2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
CID 56570758
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-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
CID 55694116
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
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-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51126918
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[(2S)-oxan-2-yl]oxyacetamide
CID 95143080
2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
CID 63576313
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-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide (CID 46489302) is 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide is Cc1nc2c(cc(OCC(=O)NNC(=O)c3ccccc3F)c3ccsc32)s1.
What is the InChIKey of 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide?
The InChIKey is QJSHGMHHETUHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S2/c1-10-21-17-15(28-10)8-14(12-6-7-27-18(12)17)26-9-16(24)22-23-19(25)11-4-2-3-5-13(11)20/h2-8H,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide?
2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide has a molecular weight of 415.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide is sourced from PubChem (CID 46489302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).