5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one

C15H12N4OS — CID 164609962

IUPAC5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one
SMILESCc1cc(-c2nn3ccnc3s2)c2ccn(C)c(=O)c2c1
InChIInChI=1S/C15H12N4OS/c1-9-7-11(13-17-19-6-4-16-15(19)21-13)10-3-5-18(2)14(20)12(10)8-9/h3-8H,1-2H3
InChIKeyHOOAMEFMHDVIAW-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.62
Rot. Bonds1

About 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one

5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one (PubChem CID 164609962) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one
PubChem CID164609962
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one
SMILESCc1cc(-c2nn3ccnc3s2)c2ccn(C)c(=O)c2c1
InChIInChI=1S/C15H12N4OS/c1-9-7-11(13-17-19-6-4-16-15(19)21-13)10-3-5-18(2)14(20)12(10)8-9/h3-8H,1-2H3
InChIKeyHOOAMEFMHDVIAW-UHFFFAOYSA-N
XLogP2.62
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one?
The IUPAC name of 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one (CID 164609962) is 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one.
What is the SMILES notation for 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one?
The canonical SMILES for 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one is Cc1cc(-c2nn3ccnc3s2)c2ccn(C)c(=O)c2c1.
What is the InChIKey of 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one?
The InChIKey is HOOAMEFMHDVIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-9-7-11(13-17-19-6-4-16-15(19)21-13)10-3-5-18(2)14(20)12(10)8-9/h3-8H,1-2H3.
What are the key properties of 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one?
5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one has a molecular weight of 296.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[2,1-b][1,3,4]thiadiazol-2-yl-2,7-dimethylisoquinolin-1-one is sourced from PubChem (CID 164609962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).