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

C16H20N6OS — CID 75373905

IUPAC2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(C2CCCN(Cc3cc(=O)n4nc(C)sc4n3)C2)n[nH]1
InChIInChI=1S/C16H20N6OS/c1-10-6-14(19-18-10)12-4-3-5-21(8-12)9-13-7-15(23)22-16(17-13)24-11(2)20-22/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyZTJYSHIYNCVCFT-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.87
Rot. Bonds3

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

2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 75373905) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID75373905
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(C2CCCN(Cc3cc(=O)n4nc(C)sc4n3)C2)n[nH]1
InChIInChI=1S/C16H20N6OS/c1-10-6-14(19-18-10)12-4-3-5-21(8-12)9-13-7-15(23)22-16(17-13)24-11(2)20-22/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyZTJYSHIYNCVCFT-UHFFFAOYSA-N
XLogP1.87
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[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 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 75373905) is 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(C2CCCN(Cc3cc(=O)n4nc(C)sc4n3)C2)n[nH]1.
What is the InChIKey of 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZTJYSHIYNCVCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-6-14(19-18-10)12-4-3-5-21(8-12)9-13-7-15(23)22-16(17-13)24-11(2)20-22/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 344.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 75373905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).