N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide

C15H13N3O2S — CID 143091019

IUPACN-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(Oc3cc(C)ccn3)cccc2s1
InChIInChI=1S/C15H13N3O2S/c1-9-6-7-16-13(8-9)20-11-4-3-5-12-14(11)18-15(21-12)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMIHQBKMQVHLSJA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.75
Rot. Bonds3

About N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide

N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 143091019) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
PubChem CID143091019
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(Oc3cc(C)ccn3)cccc2s1
InChIInChI=1S/C15H13N3O2S/c1-9-6-7-16-13(8-9)20-11-4-3-5-12-14(11)18-15(21-12)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMIHQBKMQVHLSJA-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide (CID 143091019) is N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2c(Oc3cc(C)ccn3)cccc2s1.
What is the InChIKey of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is MIHQBKMQVHLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-6-7-16-13(8-9)20-11-4-3-5-12-14(11)18-15(21-12)17-10(2)19/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 143091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).