7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H19N5OS — CID 91828594

IUPAC7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1n[nH]c(C)c1CCN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N5OS/c1-10-13(11(2)18-17-10)4-5-19(3)9-12-8-14(21)20-6-7-22-15(20)16-12/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyODSQBNUFIKLRPP-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.77
Rot. Bonds5

About 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91828594) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91828594
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1n[nH]c(C)c1CCN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N5OS/c1-10-13(11(2)18-17-10)4-5-19(3)9-12-8-14(21)20-6-7-22-15(20)16-12/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyODSQBNUFIKLRPP-UHFFFAOYSA-N
XLogP1.77
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91828594) is 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1n[nH]c(C)c1CCN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ODSQBNUFIKLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-13(11(2)18-17-10)4-5-19(3)9-12-8-14(21)20-6-7-22-15(20)16-12/h6-8H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 317.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91828594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).