2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C18H18N4O2S2 — CID 51173449

IUPAC2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1nc2c(cc(OCC(=O)Nc3ccnn3C(C)C)c3ccsc32)s1
InChIInChI=1S/C18H18N4O2S2/c1-10(2)22-15(4-6-19-22)21-16(23)9-24-13-8-14-17(20-11(3)26-14)18-12(13)5-7-25-18/h4-8,10H,9H2,1-3H3,(H,21,23)
InChIKeyAHPDXDYFOHMQIN-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 51173449) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID51173449
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1nc2c(cc(OCC(=O)Nc3ccnn3C(C)C)c3ccsc32)s1
InChIInChI=1S/C18H18N4O2S2/c1-10(2)22-15(4-6-19-22)21-16(23)9-24-13-8-14-17(20-11(3)26-14)18-12(13)5-7-25-18/h4-8,10H,9H2,1-3H3,(H,21,23)
InChIKeyAHPDXDYFOHMQIN-UHFFFAOYSA-N
XLogP4.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55704458
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51126918
N-(5-acetamido-2-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55706842
2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
CID 56570758
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4786981
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
1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
CID 51172564
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-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 51173449) is 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide is Cc1nc2c(cc(OCC(=O)Nc3ccnn3C(C)C)c3ccsc32)s1.
What is the InChIKey of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is AHPDXDYFOHMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-10(2)22-15(4-6-19-22)21-16(23)9-24-13-8-14-17(20-11(3)26-14)18-12(13)5-7-25-18/h4-8,10H,9H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 51173449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).