3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile

C21H11N5OS — CID 154657223

IUPAC3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc3[nH]ccc(=O)c3nc2-c2ccc3ncsc3c2)c1
InChIInChI=1S/C21H11N5OS/c22-10-12-2-1-3-13(8-12)19-18(14-4-5-15-17(9-14)28-11-24-15)25-20-16(27)6-7-23-21(20)26-19/h1-9,11H,(H,23,26,27)
InChIKeyAVNKGNLCZIMEMB-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.13
Rot. Bonds2

About 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile

3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile (PubChem CID 154657223) has the molecular formula C21H11N5OS and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile
PubChem CID154657223
Molecular FormulaC21H11N5OS
Molecular Weight381.42 g/mol
Exact Mass381.07
IUPAC Name3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc3[nH]ccc(=O)c3nc2-c2ccc3ncsc3c2)c1
InChIInChI=1S/C21H11N5OS/c22-10-12-2-1-3-13(8-12)19-18(14-4-5-15-17(9-14)28-11-24-15)25-20-16(27)6-7-23-21(20)26-19/h1-9,11H,(H,23,26,27)
InChIKeyAVNKGNLCZIMEMB-UHFFFAOYSA-N
XLogP4.13
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
3-[3-(1,3-benzothiazol-6-yl)-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154604929
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029
6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438406
2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656681
2-(3-chlorophenyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657088
3-[1-[[6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzonitrile
CID 70979611
3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657357
6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
CID 122510648
6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
CID 122510529
2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657626

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile?
The IUPAC name of 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile (CID 154657223) is 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile.
What is the SMILES notation for 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile?
The canonical SMILES for 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile is N#Cc1cccc(-c2nc3[nH]ccc(=O)c3nc2-c2ccc3ncsc3c2)c1.
What is the InChIKey of 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile?
The InChIKey is AVNKGNLCZIMEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N5OS/c22-10-12-2-1-3-13(8-12)19-18(14-4-5-15-17(9-14)28-11-24-15)25-20-16(27)6-7-23-21(20)26-19/h1-9,11H,(H,23,26,27).
What are the key properties of 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile?
3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile has a molecular weight of 381.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile is sourced from PubChem (CID 154657223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).