2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one

C16H14N4OS — CID 164620157

IUPAC2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one
SMILESCc1cc(-c2nn3cc(C)nc3s2)c2ccn(C)c(=O)c2c1
InChIInChI=1S/C16H14N4OS/c1-9-6-12(11-4-5-19(3)15(21)13(11)7-9)14-18-20-8-10(2)17-16(20)22-14/h4-8H,1-3H3
InChIKeyTWIPZPGFBFICMQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.93
Rot. Bonds1

About 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one

2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one (PubChem CID 164620157) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one.

Molecular Properties

Compound Name2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one
PubChem CID164620157
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one
SMILESCc1cc(-c2nn3cc(C)nc3s2)c2ccn(C)c(=O)c2c1
InChIInChI=1S/C16H14N4OS/c1-9-6-12(11-4-5-19(3)15(21)13(11)7-9)14-18-20-8-10(2)17-16(20)22-14/h4-8H,1-3H3
InChIKeyTWIPZPGFBFICMQ-UHFFFAOYSA-N
XLogP2.93
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one?
The IUPAC name of 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one (CID 164620157) is 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one.
What is the SMILES notation for 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one?
The canonical SMILES for 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one is Cc1cc(-c2nn3cc(C)nc3s2)c2ccn(C)c(=O)c2c1.
What is the InChIKey of 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one?
The InChIKey is TWIPZPGFBFICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-9-6-12(11-4-5-19(3)15(21)13(11)7-9)14-18-20-8-10(2)17-16(20)22-14/h4-8H,1-3H3.
What are the key properties of 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one?
2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one has a molecular weight of 310.38 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one is sourced from PubChem (CID 164620157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).