2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H11ClN4OS — CID 162656210

IUPAC2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-n2ccc3ccccc32)cnc2sc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C19H11ClN4OS/c20-14-6-3-5-13(10-14)17-22-24-18(25)16(11-21-19(24)26-17)23-9-8-12-4-1-2-7-15(12)23/h1-11H
InChIKeyRDDOXEBRRDQAOI-UHFFFAOYSA-N
MW378.84 g/mol
LogP4.42
Rot. Bonds2

About 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 162656210) has the molecular formula C19H11ClN4OS and a molecular weight of 378.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID162656210
Molecular FormulaC19H11ClN4OS
Molecular Weight378.84 g/mol
Exact Mass378.03
IUPAC Name2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-n2ccc3ccccc32)cnc2sc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C19H11ClN4OS/c20-14-6-3-5-13(10-14)17-22-24-18(25)16(11-21-19(24)26-17)23-9-8-12-4-1-2-7-15(12)23/h1-11H
InChIKeyRDDOXEBRRDQAOI-UHFFFAOYSA-N
XLogP4.42
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 162656210) is 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1c(-n2ccc3ccccc32)cnc2sc(-c3cccc(Cl)c3)nn12.
What is the InChIKey of 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RDDOXEBRRDQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS/c20-14-6-3-5-13(10-14)17-22-24-18(25)16(11-21-19(24)26-17)23-9-8-12-4-1-2-7-15(12)23/h1-11H.
What are the key properties of 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 378.84 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 162656210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).