3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H22N4OS — CID 126944932

IUPAC3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H22N4OS/c22-17-4-7-18-12-21(17)10-13-5-8-20(9-6-13)11-16-19-14-2-1-3-15(14)23-16/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyDPICDTHKNITGOD-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.10
Rot. Bonds4

About 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944932) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944932
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H22N4OS/c22-17-4-7-18-12-21(17)10-13-5-8-20(9-6-13)11-16-19-14-2-1-3-15(14)23-16/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyDPICDTHKNITGOD-UHFFFAOYSA-N
XLogP2.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944932) is 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1ccncn1CC1CCN(Cc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DPICDTHKNITGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17-4-7-18-12-21(17)10-13-5-8-20(9-6-13)11-16-19-14-2-1-3-15(14)23-16/h4,7,12-13H,1-3,5-6,8-11H2.
What are the key properties of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 330.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).