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

C17H19F3N4OS — CID 126943703

IUPAC3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H19F3N4OS/c18-17(19,20)14-8-15(25)24(10-21-14)9-11-4-6-23(7-5-11)16-22-12-2-1-3-13(12)26-16/h8,10-11H,1-7,9H2
InChIKeyDOVDFKZDPNNFOB-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.12
Rot. Bonds3

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

3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943703) has the molecular formula C17H19F3N4OS and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943703
Molecular FormulaC17H19F3N4OS
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC Name3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H19F3N4OS/c18-17(19,20)14-8-15(25)24(10-21-14)9-11-4-6-23(7-5-11)16-22-12-2-1-3-13(12)26-16/h8,10-11H,1-7,9H2
InChIKeyDOVDFKZDPNNFOB-UHFFFAOYSA-N
XLogP3.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.12
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-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943703) is 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is O=c1cc(C(F)(F)F)ncn1CC1CCN(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is DOVDFKZDPNNFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4OS/c18-17(19,20)14-8-15(25)24(10-21-14)9-11-4-6-23(7-5-11)16-22-12-2-1-3-13(12)26-16/h8,10-11H,1-7,9H2.
What are the key properties of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 384.43 g/mol, XLogP of 3.12, 3 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-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).