5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile

C17H23N5OS — CID 59463571

About 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile

5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile (PubChem CID 59463571) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
• PubChem CID: 59463571
• Molecular Formula: C17H23N5OS
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.16
• IUPAC Name: 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
• SMILES: N#Cc1nc2c(s1)CN(CC(=O)N1CCN(C3CCC3)CC1)CC2
• InChI: InChI=1S/C17H23N5OS/c18-10-16-19-14-4-5-20(11-15(14)24-16)12-17(23)22-8-6-21(7-9-22)13-2-1-3-13/h13H,1-9,11-12H2
• InChIKey: SGLIVLCREUHCHS-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 63.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile?

The IUPAC name of 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile (CID 59463571) is 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile?

The canonical SMILES for 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile is N#Cc1nc2c(s1)CN(CC(=O)N1CCN(C3CCC3)CC1)CC2.

What is the InChIKey of 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile?

The InChIKey is SGLIVLCREUHCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c18-10-16-19-14-4-5-20(11-15(14)24-16)12-17(23)22-8-6-21(7-9-22)13-2-1-3-13/h13H,1-9,11-12H2.

What are the key properties of 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile?

5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile has a molecular weight of 345.47 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile is sourced from PubChem (CID 59463571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).