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

C17H21N5OS — CID 71927061

IUPAC3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(C2CCCN(Cc3cc(=O)n4c(C)csc4n3)C2)n[nH]1
InChIInChI=1S/C17H21N5OS/c1-11-6-15(20-19-11)13-4-3-5-21(8-13)9-14-7-16(23)22-12(2)10-24-17(22)18-14/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyWHACCDHNUHWVBD-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.48
Rot. Bonds3

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

3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 71927061) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID71927061
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(C2CCCN(Cc3cc(=O)n4c(C)csc4n3)C2)n[nH]1
InChIInChI=1S/C17H21N5OS/c1-11-6-15(20-19-11)13-4-3-5-21(8-13)9-14-7-16(23)22-12(2)10-24-17(22)18-14/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyWHACCDHNUHWVBD-UHFFFAOYSA-N
XLogP2.48
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 71927061) is 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(C2CCCN(Cc3cc(=O)n4c(C)csc4n3)C2)n[nH]1.
What is the InChIKey of 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WHACCDHNUHWVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-6-15(20-19-11)13-4-3-5-21(8-13)9-14-7-16(23)22-12(2)10-24-17(22)18-14/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 343.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 71927061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).