6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H26N4OS — CID 70004899

IUPAC6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(C)n2c(=O)c1CCN1CCC(n2ccc3ccccc32)CC1
InChIInChI=1S/C23H26N4OS/c1-16-15-29-23-24-17(2)20(22(28)27(16)23)10-13-25-11-8-19(9-12-25)26-14-7-18-5-3-4-6-21(18)26/h3-7,14-15,19H,8-13H2,1-2H3
InChIKeyZDSTYDHJJAIKEK-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.21
Rot. Bonds4

About 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70004899) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID70004899
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(C)n2c(=O)c1CCN1CCC(n2ccc3ccccc32)CC1
InChIInChI=1S/C23H26N4OS/c1-16-15-29-23-24-17(2)20(22(28)27(16)23)10-13-25-11-8-19(9-12-25)26-14-7-18-5-3-4-6-21(18)26/h3-7,14-15,19H,8-13H2,1-2H3
InChIKeyZDSTYDHJJAIKEK-UHFFFAOYSA-N
XLogP4.21
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 70004899) is 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2scc(C)n2c(=O)c1CCN1CCC(n2ccc3ccccc32)CC1.
What is the InChIKey of 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZDSTYDHJJAIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-16-15-29-23-24-17(2)20(22(28)27(16)23)10-13-25-11-8-19(9-12-25)26-14-7-18-5-3-4-6-21(18)26/h3-7,14-15,19H,8-13H2,1-2H3.
What are the key properties of 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 406.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70004899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).