6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H26N4O2S — CID 126944272

IUPAC6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncsc1C(=O)N1CCC(Cn2cnc(C(C)(C)C)cc2=O)CC1
InChIInChI=1S/C19H26N4O2S/c1-13-17(26-12-21-13)18(25)22-7-5-14(6-8-22)10-23-11-20-15(9-16(23)24)19(2,3)4/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyGGFSJYXFNOZDPJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.86
Rot. Bonds3

About 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944272) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944272
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncsc1C(=O)N1CCC(Cn2cnc(C(C)(C)C)cc2=O)CC1
InChIInChI=1S/C19H26N4O2S/c1-13-17(26-12-21-13)18(25)22-7-5-14(6-8-22)10-23-11-20-15(9-16(23)24)19(2,3)4/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyGGFSJYXFNOZDPJ-UHFFFAOYSA-N
XLogP2.86
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942957
3-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]methyl]-6-tert-butylpyrimidin-4-one
CID 126944215
6-methyl-2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863870
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944242
6-tert-butyl-3-[[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944467
3-(azetidin-3-ylmethyl)-6-tert-butylpyrimidin-4-one
CID 126857712
3-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943369
6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944296
6-tert-butyl-3-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944221
6-tert-butyl-3-[[1-[(1,1-dioxothian-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944581

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944272) is 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncsc1C(=O)N1CCC(Cn2cnc(C(C)(C)C)cc2=O)CC1.
What is the InChIKey of 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is GGFSJYXFNOZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-17(26-12-21-13)18(25)22-7-5-14(6-8-22)10-23-11-20-15(9-16(23)24)19(2,3)4/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 374.51 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).