N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide

C20H15N3O2S — CID 112772419

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C20H15N3O2S/c24-19(13-25-15-6-2-1-3-7-15)23-18-11-10-14(12-21-18)20-22-16-8-4-5-9-17(16)26-20/h1-12H,13H2,(H,21,23,24)
InChIKeyDHTRBUARLVSZFS-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.38
Rot. Bonds5

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide (PubChem CID 112772419) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
PubChem CID112772419
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C20H15N3O2S/c24-19(13-25-15-6-2-1-3-7-15)23-18-11-10-14(12-21-18)20-22-16-8-4-5-9-17(16)26-20/h1-12H,13H2,(H,21,23,24)
InChIKeyDHTRBUARLVSZFS-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 112771313
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 7919365
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
CID 112772428
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2,3,4,5-tetrafluorobenzamide
CID 112772707
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1343042
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 7919354
5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
CID 166362097
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-bromo-2-chlorobenzamide
CID 112772424

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide (CID 112772419) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cn1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide?
The InChIKey is DHTRBUARLVSZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-19(13-25-15-6-2-1-3-7-15)23-18-11-10-14(12-21-18)20-22-16-8-4-5-9-17(16)26-20/h1-12H,13H2,(H,21,23,24).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide has a molecular weight of 361.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 112772419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).