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

C16H21N5O3S — CID 18209038

IUPAC7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1
InChIInChI=1S/C16H21N5O3S/c1-11-10-13(22)21-15(17-11)25-16(18-21)20-4-2-12(3-5-20)14(23)19-6-8-24-9-7-19/h10,12H,2-9H2,1H3
InChIKeyVREVENICUCISSY-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.53
Rot. Bonds2

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

7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18209038) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID18209038
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1
InChIInChI=1S/C16H21N5O3S/c1-11-10-13(22)21-15(17-11)25-16(18-21)20-4-2-12(3-5-20)14(23)19-6-8-24-9-7-19/h10,12H,2-9H2,1H3
InChIKeyVREVENICUCISSY-UHFFFAOYSA-N
XLogP0.53
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-2-{4-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3241629
7-Methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3245528
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 16012128
Ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 20892933
2-[4-(Azepane-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147147
7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892935
2-[4-(3,5-Dimethylpiperidine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892936
2-[4-(4-Ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892937
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[3-(morpholin-4-YL)propyl]piperidine-4-carboxamide
CID 20892956
N-(2-Methoxyethyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20892959
N-(3-Ethoxypropyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20892966
N-(3-Methoxypropyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20892967

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 18209038) is 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1.
What is the InChIKey of 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VREVENICUCISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-11-10-13(22)21-15(17-11)25-16(18-21)20-4-2-12(3-5-20)14(23)19-6-8-24-9-7-19/h10,12H,2-9H2,1H3.
What are the key properties of 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 363.44 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18209038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).