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

C16H15N3OS — CID 2998666

IUPAC7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-13-9-15(20)18-6-7-21-16(18)17-13/h2-7,9,11H,8,10H2,1H3
InChIKeyNQPNWKJSVGAUOE-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.71
Rot. Bonds2

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

7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2998666) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2998666
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-13-9-15(20)18-6-7-21-16(18)17-13/h2-7,9,11H,8,10H2,1H3
InChIKeyNQPNWKJSVGAUOE-UHFFFAOYSA-N
XLogP2.71
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2998666) is 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NQPNWKJSVGAUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-13-9-15(20)18-6-7-21-16(18)17-13/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 297.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2998666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).