7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H22N4O2S — CID 91840836

IUPAC7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(C2(O)CCN(Cc3cc(=O)n4cc(C)sc4n3)CC2)nc1
InChIInChI=1S/C19H22N4O2S/c1-13-3-4-16(20-10-13)19(25)5-7-22(8-6-19)12-15-9-17(24)23-11-14(2)26-18(23)21-15/h3-4,9-11,25H,5-8,12H2,1-2H3
InChIKeyGTWXMUUYFAOFSW-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.25
Rot. Bonds3

About 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91840836) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91840836
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(C2(O)CCN(Cc3cc(=O)n4cc(C)sc4n3)CC2)nc1
InChIInChI=1S/C19H22N4O2S/c1-13-3-4-16(20-10-13)19(25)5-7-22(8-6-19)12-15-9-17(24)23-11-14(2)26-18(23)21-15/h3-4,9-11,25H,5-8,12H2,1-2H3
InChIKeyGTWXMUUYFAOFSW-UHFFFAOYSA-N
XLogP2.25
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70718019
2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 162636373
7-[[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70720602
4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56752658
4-(5-methyl-2-pyridinyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 91843452
7-[[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136585971
2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 56746995
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
2-methyl-7-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70769771
1-[(2-amino-3-pyridinyl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56742663
4-(5-methyl-2-pyridinyl)-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-ol
CID 138806620
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56753267

Frequently Asked Questions

What is the IUPAC name of 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91840836) is 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(C2(O)CCN(Cc3cc(=O)n4cc(C)sc4n3)CC2)nc1.
What is the InChIKey of 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GTWXMUUYFAOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-3-4-16(20-10-13)19(25)5-7-22(8-6-19)12-15-9-17(24)23-11-14(2)26-18(23)21-15/h3-4,9-11,25H,5-8,12H2,1-2H3.
What are the key properties of 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 370.48 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91840836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).