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

C17H23N5OS — CID 91836794

IUPAC7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN(C)CCCc3c(C)n[nH]c3C)nc2s1
InChIInChI=1S/C17H23N5OS/c1-11-9-22-16(23)8-14(18-17(22)24-11)10-21(4)7-5-6-15-12(2)19-20-13(15)3/h8-9H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyXZAVAVJYSFYTDE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.47
Rot. Bonds6

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

7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91836794) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91836794
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN(C)CCCc3c(C)n[nH]c3C)nc2s1
InChIInChI=1S/C17H23N5OS/c1-11-9-22-16(23)8-14(18-17(22)24-11)10-21(4)7-5-6-15-12(2)19-20-13(15)3/h8-9H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyXZAVAVJYSFYTDE-UHFFFAOYSA-N
XLogP2.47
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91836794) is 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CN(C)CCCc3c(C)n[nH]c3C)nc2s1.
What is the InChIKey of 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XZAVAVJYSFYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-9-22-16(23)8-14(18-17(22)24-11)10-21(4)7-5-6-15-12(2)19-20-13(15)3/h8-9H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 345.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91836794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).