N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

C15H13N3OS — CID 58290044

IUPACN-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1
InChIInChI=1S/C15H13N3OS/c1-9-5-12(8-16-7-9)11-3-4-13-14(6-11)20-15(18-13)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
InChIKeyIAMWJEXKKUVSJY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.63
Rot. Bonds2

About N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 58290044) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID58290044
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1
InChIInChI=1S/C15H13N3OS/c1-9-5-12(8-16-7-9)11-3-4-13-14(6-11)20-15(18-13)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
InChIKeyIAMWJEXKKUVSJY-UHFFFAOYSA-N
XLogP3.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (CID 58290044) is N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.
What is the InChIKey of N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is IAMWJEXKKUVSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-5-12(8-16-7-9)11-3-4-13-14(6-11)20-15(18-13)17-10(2)19/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 283.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 58290044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).