2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H18N6OS — CID 71996766

IUPAC2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nsc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1
InChIInChI=1S/C16H18N6OS/c1-12-17-16(24-19-12)21-8-6-20(7-9-21)11-13-10-15(23)22-5-3-2-4-14(22)18-13/h2-5,10H,6-9,11H2,1H3
InChIKeyVWXPMPRGLBDMLH-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.18
Rot. Bonds3

About 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71996766) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID71996766
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nsc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1
InChIInChI=1S/C16H18N6OS/c1-12-17-16(24-19-12)21-8-6-20(7-9-21)11-13-10-15(23)22-5-3-2-4-14(22)18-13/h2-5,10H,6-9,11H2,1H3
InChIKeyVWXPMPRGLBDMLH-UHFFFAOYSA-N
XLogP1.18
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 71996766) is 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nsc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VWXPMPRGLBDMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-12-17-16(24-19-12)21-8-6-20(7-9-21)11-13-10-15(23)22-5-3-2-4-14(22)18-13/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 342.43 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71996766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).