7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H24N4O2S — CID 56802196

IUPAC7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(CC(C)O)C(C)C3)cc(=O)n12
InChIInChI=1S/C16H24N4O2S/c1-11-7-18(4-5-19(11)8-13(3)21)9-14-6-15(22)20-12(2)10-23-16(20)17-14/h6,10-11,13,21H,4-5,7-9H2,1-3H3
InChIKeyZQHGODBJOZKUHV-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.95
Rot. Bonds4

About 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 56802196) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID56802196
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(CC(C)O)C(C)C3)cc(=O)n12
InChIInChI=1S/C16H24N4O2S/c1-11-7-18(4-5-19(11)8-13(3)21)9-14-6-15(22)20-12(2)10-23-16(20)17-14/h6,10-11,13,21H,4-5,7-9H2,1-3H3
InChIKeyZQHGODBJOZKUHV-UHFFFAOYSA-N
XLogP0.95
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 56802196) is 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCN(CC(C)O)C(C)C3)cc(=O)n12.
What is the InChIKey of 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZQHGODBJOZKUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11-7-18(4-5-19(11)8-13(3)21)9-14-6-15(22)20-12(2)10-23-16(20)17-14/h6,10-11,13,21H,4-5,7-9H2,1-3H3.
What are the key properties of 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 336.46 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 56802196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).