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

C20H26N4OS — CID 126941797

IUPAC6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C20H26N4OS/c25-20-10-17(15-4-5-15)21-13-24(20)11-14-6-8-23(9-7-14)12-19-22-16-2-1-3-18(16)26-19/h10,13-15H,1-9,11-12H2
InChIKeyJMIDEEFYIYPAIO-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.98
Rot. Bonds5

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

6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941797) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941797
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C20H26N4OS/c25-20-10-17(15-4-5-15)21-13-24(20)11-14-6-8-23(9-7-14)12-19-22-16-2-1-3-18(16)26-19/h10,13-15H,1-9,11-12H2
InChIKeyJMIDEEFYIYPAIO-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-({1-[(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943617
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943618
3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943703
6-(Difluoromethyl)-3-({1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944037
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944038
3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944117
3-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126857589
6-tert-butyl-3-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126857700
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126864082
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126864942
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126865401
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126865489

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941797) is 6-cyclopropyl-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 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(Cc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is JMIDEEFYIYPAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20-10-17(15-4-5-15)21-13-24(20)11-14-6-8-23(9-7-14)12-19-22-16-2-1-3-18(16)26-19/h10,13-15H,1-9,11-12H2.
What are the key properties of 6-cyclopropyl-3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-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 370.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-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 126941797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).