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

C17H22N4OS — CID 126940938

IUPAC3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(c3nc4c(s3)CCC4)CC2)c1=O
InChIInChI=1S/C17H22N4OS/c1-12-9-18-11-21(16(12)22)10-13-5-7-20(8-6-13)17-19-14-3-2-4-15(14)23-17/h9,11,13H,2-8,10H2,1H3
InChIKeyZXDDQUNUQPJXHF-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.41
Rot. Bonds3

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

3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940938) 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-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940938
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(c3nc4c(s3)CCC4)CC2)c1=O
InChIInChI=1S/C17H22N4OS/c1-12-9-18-11-21(16(12)22)10-13-5-7-20(8-6-13)17-19-14-3-2-4-15(14)23-17/h9,11,13H,2-8,10H2,1H3
InChIKeyZXDDQUNUQPJXHF-UHFFFAOYSA-N
XLogP2.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one with MolForge

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Related Compounds

1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
CID 75416081
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
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
1-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
CID 33039555
3-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126857589
6-tert-butyl-2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126862567
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863034
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126864169
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126865032
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
2-[2-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperazin-1-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126913488

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]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940938) is 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-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]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is Cc1cncn(CC2CCN(c3nc4c(s3)CCC4)CC2)c1=O.
What is the InChIKey of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is ZXDDQUNUQPJXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-9-18-11-21(16(12)22)10-13-5-7-20(8-6-13)17-19-14-3-2-4-15(14)23-17/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 330.46 g/mol, XLogP of 2.41, 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]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).