1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide

C15H21N5O2S — CID 20893020

IUPAC1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)NC(C)C)C3)sc2n1
InChIInChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-5-4-6-19(8-11)15-18-20-12(21)7-10(3)17-14(20)23-15/h7,9,11H,4-6,8H2,1-3H3,(H,16,22)
InChIKeyURHMNTPUSAIISR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.20
Rot. Bonds3

About 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 20893020) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID20893020
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)NC(C)C)C3)sc2n1
InChIInChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-5-4-6-19(8-11)15-18-20-12(21)7-10(3)17-14(20)23-15/h7,9,11H,4-6,8H2,1-3H3,(H,16,22)
InChIKeyURHMNTPUSAIISR-UHFFFAOYSA-N
XLogP1.20
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893044
N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893003
N-[(4-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893014
(3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 99729870
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 122176299
2-(azepan-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147073
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893061
(3S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 129431041
N-[2-(azepan-1-yl)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20892972
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20892961
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51931655
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 20892983

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide (CID 20893020) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide is Cc1cc(=O)n2nc(N3CCCC(C(=O)NC(C)C)C3)sc2n1.
What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is URHMNTPUSAIISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-5-4-6-19(8-11)15-18-20-12(21)7-10(3)17-14(20)23-15/h7,9,11H,4-6,8H2,1-3H3,(H,16,22).
What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 20893020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).