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

C14H20N4O2S — CID 60638774

IUPAC7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(CCO)CC3)cc(=O)n12
InChIInChI=1S/C14H20N4O2S/c1-11-10-21-14-15-12(8-13(20)18(11)14)9-17-4-2-16(3-5-17)6-7-19/h8,10,19H,2-7,9H2,1H3
InChIKeyNRFFZIRYXQMPAK-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.17
Rot. Bonds4

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

7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60638774) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID60638774
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(CCO)CC3)cc(=O)n12
InChIInChI=1S/C14H20N4O2S/c1-11-10-21-14-15-12(8-13(20)18(11)14)9-17-4-2-16(3-5-17)6-7-19/h8,10,19H,2-7,9H2,1H3
InChIKeyNRFFZIRYXQMPAK-UHFFFAOYSA-N
XLogP0.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 60638774) is 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCN(CCO)CC3)cc(=O)n12.
What is the InChIKey of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NRFFZIRYXQMPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-10-21-14-15-12(8-13(20)18(11)14)9-17-4-2-16(3-5-17)6-7-19/h8,10,19H,2-7,9H2,1H3.
What are the key properties of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.41 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60638774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).