2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C20H24N4OS — CID 55829501

IUPAC2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCC(CCc4ccccc4)CC3)nc2s1
InChIInChI=1S/C20H24N4OS/c1-15-22-24-19(25)13-18(21-20(24)26-15)14-23-11-9-17(10-12-23)8-7-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3
InChIKeyGQOUWRJFYFOKSK-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55829501) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID55829501
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCC(CCc4ccccc4)CC3)nc2s1
InChIInChI=1S/C20H24N4OS/c1-15-22-24-19(25)13-18(21-20(24)26-15)14-23-11-9-17(10-12-23)8-7-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3
InChIKeyGQOUWRJFYFOKSK-UHFFFAOYSA-N
XLogP3.30
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55829270
2-methyl-7-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86773456
2-methyl-7-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47535403
7-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55831151
2-methyl-7-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55768326
2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17416419
1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carbaldehyde
CID 62655022
7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 95299204
7-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42996454
2-methyl-7-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 171153072
7-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 94182681
7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 166184072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 55829501) is 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nn2c(=O)cc(CN3CCC(CCc4ccccc4)CC3)nc2s1.
What is the InChIKey of 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GQOUWRJFYFOKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-22-24-19(25)13-18(21-20(24)26-15)14-23-11-9-17(10-12-23)8-7-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3.
What are the key properties of 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 368.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55829501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).