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

C15H14N4O2S — CID 59251848

IUPACN-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1N
InChIInChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
InChIKeyFFIJKEOXPCFSSY-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.91
Rot. Bonds3

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

N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 59251848) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID59251848
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1N
InChIInChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
InChIKeyFFIJKEOXPCFSSY-UHFFFAOYSA-N
XLogP2.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (CID 59251848) is N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is COc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1N.
What is the InChIKey of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is FFIJKEOXPCFSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20).
What are the key properties of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 59251848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).