2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile

C15H19N5O2S — CID 95917887

IUPAC2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile
SMILESCCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC#N)c1=O
InChIInChI=1S/C15H19N5O2S/c1-2-7-20-13(21)11-12(19(10-6-16)15(20)22)17-14(23-11)18-8-4-3-5-9-18/h2-5,7-10H2,1H3
InChIKeyWFCQYCNJUFFBPU-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.54
Rot. Bonds4

About 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile

2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile (PubChem CID 95917887) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile
PubChem CID95917887
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile
SMILESCCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC#N)c1=O
InChIInChI=1S/C15H19N5O2S/c1-2-7-20-13(21)11-12(19(10-6-16)15(20)22)17-14(23-11)18-8-4-3-5-9-18/h2-5,7-10H2,1H3
InChIKeyWFCQYCNJUFFBPU-UHFFFAOYSA-N
XLogP1.54
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile (CID 95917887) is 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile is CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC#N)c1=O.
What is the InChIKey of 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile?
The InChIKey is WFCQYCNJUFFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-2-7-20-13(21)11-12(19(10-6-16)15(20)22)17-14(23-11)18-8-4-3-5-9-18/h2-5,7-10H2,1H3.
What are the key properties of 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile?
2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile has a molecular weight of 333.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 95917887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).