2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H18N6OS — CID 51104528

IUPAC2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCC(c4ccn[nH]4)CC3)nc2s1
InChIInChI=1S/C15H18N6OS/c1-10-19-21-14(22)8-12(17-15(21)23-10)9-20-6-3-11(4-7-20)13-2-5-16-18-13/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,18)
InChIKeyGNUMWZYYJGNRLM-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.56
Rot. Bonds3

About 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51104528) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID51104528
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCC(c4ccn[nH]4)CC3)nc2s1
InChIInChI=1S/C15H18N6OS/c1-10-19-21-14(22)8-12(17-15(21)23-10)9-20-6-3-11(4-7-20)13-2-5-16-18-13/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,18)
InChIKeyGNUMWZYYJGNRLM-UHFFFAOYSA-N
XLogP1.56
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 51104528) is 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nn2c(=O)cc(CN3CCC(c4ccn[nH]4)CC3)nc2s1.
What is the InChIKey of 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GNUMWZYYJGNRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-10-19-21-14(22)8-12(17-15(21)23-10)9-20-6-3-11(4-7-20)13-2-5-16-18-13/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,18).
What are the key properties of 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 330.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51104528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).