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

C14H19N5OS — CID 66195220

IUPAC7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CC(N3CCNCC3)C2)nc2sccn12
InChIInChI=1S/C14H19N5OS/c20-13-7-11(16-14-19(13)5-6-21-14)8-17-9-12(10-17)18-3-1-15-2-4-18/h5-7,12,15H,1-4,8-10H2
InChIKeyNPUSZKGDFKUNOM-UHFFFAOYSA-N
MW305.41 g/mol
LogP-0.15
Rot. Bonds3

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

7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66195220) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66195220
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CC(N3CCNCC3)C2)nc2sccn12
InChIInChI=1S/C14H19N5OS/c20-13-7-11(16-14-19(13)5-6-21-14)8-17-9-12(10-17)18-3-1-15-2-4-18/h5-7,12,15H,1-4,8-10H2
InChIKeyNPUSZKGDFKUNOM-UHFFFAOYSA-N
XLogP-0.15
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908074
7-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9394297
7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17467898
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
7-[[4-(cyclopropylmethylamino)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 119926608
7-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 115874148
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119915215
7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66244840

Frequently Asked Questions

What is the IUPAC name of 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66195220) is 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CC(N3CCNCC3)C2)nc2sccn12.
What is the InChIKey of 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NPUSZKGDFKUNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-13-7-11(16-14-19(13)5-6-21-14)8-17-9-12(10-17)18-3-1-15-2-4-18/h5-7,12,15H,1-4,8-10H2.
What are the key properties of 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 305.41 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66195220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).