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

C22H23N3OS2 — CID 18369144

IUPAC6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1CCN1CCC(c2csc3ccccc23)CC1
InChIInChI=1S/C22H23N3OS2/c1-15-17(21(26)25-12-13-27-22(25)23-15)8-11-24-9-6-16(7-10-24)19-14-28-20-5-3-2-4-18(19)20/h2-5,12-14,16H,6-11H2,1H3
InChIKeyLJBMEVQPPGFOCO-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.70
Rot. Bonds4

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

6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18369144) has the molecular formula C22H23N3OS2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID18369144
Molecular FormulaC22H23N3OS2
Molecular Weight409.58 g/mol
Exact Mass409.13
IUPAC Name6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1CCN1CCC(c2csc3ccccc23)CC1
InChIInChI=1S/C22H23N3OS2/c1-15-17(21(26)25-12-13-27-22(25)23-15)8-11-24-9-6-16(7-10-24)19-14-28-20-5-3-2-4-18(19)20/h2-5,12-14,16H,6-11H2,1H3
InChIKeyLJBMEVQPPGFOCO-UHFFFAOYSA-N
XLogP4.70
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[4-(1-benzothiophen-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-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 18369144) is 6-[2-[4-(1-benzothiophen-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-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1CCN1CCC(c2csc3ccccc23)CC1.
What is the InChIKey of 6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LJBMEVQPPGFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS2/c1-15-17(21(26)25-12-13-27-22(25)23-15)8-11-24-9-6-16(7-10-24)19-14-28-20-5-3-2-4-18(19)20/h2-5,12-14,16H,6-11H2,1H3.
What are the key properties of 6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 409.58 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18369144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).