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

C19H27N5O2S — CID 20892963

IUPACN-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)NC4CCCCC4C)CC3)sc2n1
InChIInChI=1S/C19H27N5O2S/c1-12-5-3-4-6-15(12)21-17(26)14-7-9-23(10-8-14)19-22-24-16(25)11-13(2)20-18(24)27-19/h11-12,14-15H,3-10H2,1-2H3,(H,21,26)
InChIKeyIPIDICRXEAAVGO-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.37
Rot. Bonds3

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

N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892963) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID20892963
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)NC4CCCCC4C)CC3)sc2n1
InChIInChI=1S/C19H27N5O2S/c1-12-5-3-4-6-15(12)21-17(26)14-7-9-23(10-8-14)19-22-24-16(25)11-13(2)20-18(24)27-19/h11-12,14-15H,3-10H2,1-2H3,(H,21,26)
InChIKeyIPIDICRXEAAVGO-UHFFFAOYSA-N
XLogP2.37
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892963) is N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(=O)n2nc(N3CCC(C(=O)NC4CCCCC4C)CC3)sc2n1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is IPIDICRXEAAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-12-5-3-4-6-15(12)21-17(26)14-7-9-23(10-8-14)19-22-24-16(25)11-13(2)20-18(24)27-19/h11-12,14-15H,3-10H2,1-2H3,(H,21,26).
What are the key properties of N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).