3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

C20H15N5OS — CID 66779921

IUPAC3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCc1cc(C)cc(-c2cnc3[nH]c(=O)n(-c4ccc5scnc5c4)c3n2)c1
InChIInChI=1S/C20H15N5OS/c1-11-5-12(2)7-13(6-11)16-9-21-18-19(23-16)25(20(26)24-18)14-3-4-17-15(8-14)22-10-27-17/h3-10H,1-2H3,(H,21,24,26)
InChIKeyRWJBLAAOZHZBOY-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.00
Rot. Bonds2

About 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66779921) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66779921
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCc1cc(C)cc(-c2cnc3[nH]c(=O)n(-c4ccc5scnc5c4)c3n2)c1
InChIInChI=1S/C20H15N5OS/c1-11-5-12(2)7-13(6-11)16-9-21-18-19(23-16)25(20(26)24-18)14-3-4-17-15(8-14)22-10-27-17/h3-10H,1-2H3,(H,21,24,26)
InChIKeyRWJBLAAOZHZBOY-UHFFFAOYSA-N
XLogP4.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66779921) is 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is Cc1cc(C)cc(-c2cnc3[nH]c(=O)n(-c4ccc5scnc5c4)c3n2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is RWJBLAAOZHZBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c1-11-5-12(2)7-13(6-11)16-9-21-18-19(23-16)25(20(26)24-18)14-3-4-17-15(8-14)22-10-27-17/h3-10H,1-2H3,(H,21,24,26).
What are the key properties of 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 373.44 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-5-yl)-5-(3,5-dimethylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66779921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).