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

C22H24N4OS — CID 15586443

IUPAC6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1CCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H24N4OS/c1-15-17(21(27)26-12-13-28-22(26)24-15)8-11-25-9-6-16(7-10-25)19-14-23-20-5-3-2-4-18(19)20/h2-5,12-14,16,23H,6-11H2,1H3
InChIKeyHEGHIGMRJKSVNG-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.97
Rot. Bonds4

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

6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 15586443) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID15586443
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1CCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H24N4OS/c1-15-17(21(27)26-12-13-28-22(26)24-15)8-11-25-9-6-16(7-10-25)19-14-23-20-5-3-2-4-18(19)20/h2-5,12-14,16,23H,6-11H2,1H3
InChIKeyHEGHIGMRJKSVNG-UHFFFAOYSA-N
XLogP3.97
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 15586443) is 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1CCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HEGHIGMRJKSVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-15-17(21(27)26-12-13-28-22(26)24-15)8-11-25-9-6-16(7-10-25)19-14-23-20-5-3-2-4-18(19)20/h2-5,12-14,16,23H,6-11H2,1H3.
What are the key properties of 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 392.53 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 15586443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).