6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H17N5O2S — CID 44782688

IUPAC6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)CNc2cnc3sccn3c2=O)CC1
InChIInChI=1S/C13H17N5O2S/c1-16-2-4-17(5-3-16)11(19)9-14-10-8-15-13-18(12(10)20)6-7-21-13/h6-8,14H,2-5,9H2,1H3
InChIKeyIHQBXBPSYXQTAL-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.06
Rot. Bonds3

About 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 44782688) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID44782688
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)CNc2cnc3sccn3c2=O)CC1
InChIInChI=1S/C13H17N5O2S/c1-16-2-4-17(5-3-16)11(19)9-14-10-8-15-13-18(12(10)20)6-7-21-13/h6-8,14H,2-5,9H2,1H3
InChIKeyIHQBXBPSYXQTAL-UHFFFAOYSA-N
XLogP-0.06
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 44782688) is 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN1CCN(C(=O)CNc2cnc3sccn3c2=O)CC1.
What is the InChIKey of 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IHQBXBPSYXQTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-16-2-4-17(5-3-16)11(19)9-14-10-8-15-13-18(12(10)20)6-7-21-13/h6-8,14H,2-5,9H2,1H3.
What are the key properties of 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.38 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 44782688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).