7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H13N3OS — CID 2997591

IUPAC7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCc3ccccc32)nc2sccn12
InChIInChI=1S/C15H13N3OS/c19-14-9-12(16-15-18(14)7-8-20-15)10-17-6-5-11-3-1-2-4-13(11)17/h1-4,7-9H,5-6,10H2
InChIKeyMOAWLPRKDPKASH-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.32
Rot. Bonds2

About 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2997591) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2997591
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCc3ccccc32)nc2sccn12
InChIInChI=1S/C15H13N3OS/c19-14-9-12(16-15-18(14)7-8-20-15)10-17-6-5-11-3-1-2-4-13(11)17/h1-4,7-9H,5-6,10H2
InChIKeyMOAWLPRKDPKASH-UHFFFAOYSA-N
XLogP2.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2997591) is 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCc3ccccc32)nc2sccn12.
What is the InChIKey of 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MOAWLPRKDPKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14-9-12(16-15-18(14)7-8-20-15)10-17-6-5-11-3-1-2-4-13(11)17/h1-4,7-9H,5-6,10H2.
What are the key properties of 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 283.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2997591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).