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

C15H19N3OS — CID 126857700

IUPAC6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(Cc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12-7-14(19)18(9-16-12)8-13-17-10-5-4-6-11(10)20-13/h7,9H,4-6,8H2,1-3H3
InChIKeyPMOGBDTXYVFTMI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.53
Rot. Bonds2

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

6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857700) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one
PubChem CID126857700
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(Cc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12-7-14(19)18(9-16-12)8-13-17-10-5-4-6-11(10)20-13/h7,9H,4-6,8H2,1-3H3
InChIKeyPMOGBDTXYVFTMI-UHFFFAOYSA-N
XLogP2.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one with MolForge

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Related Compounds

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}methyl)piperidin-4-yl]methyl}-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944038
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 44060332
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 44060334
6-tert-butyl-2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126857319
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857356
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857386
3-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126857589
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940854
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941327
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-cyclopropyl-3,4-dihydropyrimidin-4-one
CID 126941797

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one (CID 126857700) is 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one is CC(C)(C)c1cc(=O)n(Cc2nc3c(s2)CCC3)cn1.
What is the InChIKey of 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one?
The InChIKey is PMOGBDTXYVFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)12-7-14(19)18(9-16-12)8-13-17-10-5-4-6-11(10)20-13/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one?
6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one has a molecular weight of 289.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).