N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide

C16H11N5OS — CID 118721836

IUPACN-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc4nccnc4c3)cc2s1
InChIInChI=1S/C16H11N5OS/c1-9(22)20-16-21-12-3-2-10(7-14(12)23-16)11-6-13-15(19-8-11)18-5-4-17-13/h2-8H,1H3,(H,20,21,22)
InChIKeyWBLTUPGQADTMQO-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.26
Rot. Bonds2

About N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide

N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 118721836) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID118721836
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC NameN-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc4nccnc4c3)cc2s1
InChIInChI=1S/C16H11N5OS/c1-9(22)20-16-21-12-3-2-10(7-14(12)23-16)11-6-13-15(19-8-11)18-5-4-17-13/h2-8H,1H3,(H,20,21,22)
InChIKeyWBLTUPGQADTMQO-UHFFFAOYSA-N
XLogP3.26
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide (CID 118721836) is N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(-c3cnc4nccnc4c3)cc2s1.
What is the InChIKey of N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WBLTUPGQADTMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c1-9(22)20-16-21-12-3-2-10(7-14(12)23-16)11-6-13-15(19-8-11)18-5-4-17-13/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide?
N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 321.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrido[2,3-b]pyrazin-7-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 118721836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).