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

C17H25N5O2S — CID 20893024

IUPACN-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)NCCC(C)C)C3)sc2n1
InChIInChI=1S/C17H25N5O2S/c1-11(2)6-7-18-15(24)13-5-4-8-21(10-13)17-20-22-14(23)9-12(3)19-16(22)25-17/h9,11,13H,4-8,10H2,1-3H3,(H,18,24)
InChIKeySQYMZLXNFKJQEI-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.84
Rot. Bonds5

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

N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 20893024) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID20893024
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)NCCC(C)C)C3)sc2n1
InChIInChI=1S/C17H25N5O2S/c1-11(2)6-7-18-15(24)13-5-4-8-21(10-13)17-20-22-14(23)9-12(3)19-16(22)25-17/h9,11,13H,4-8,10H2,1-3H3,(H,18,24)
InChIKeySQYMZLXNFKJQEI-UHFFFAOYSA-N
XLogP1.84
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (CID 20893024) is N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCC(C)C)C3)sc2n1.
What is the InChIKey of N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is SQYMZLXNFKJQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-11(2)6-7-18-15(24)13-5-4-8-21(10-13)17-20-22-14(23)9-12(3)19-16(22)25-17/h9,11,13H,4-8,10H2,1-3H3,(H,18,24).
What are the key properties of N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20893024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).