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

C19H27N5O2S — CID 20893006

IUPACN-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)NC4CCCCCC4)C3)sc2n1
InChIInChI=1S/C19H27N5O2S/c1-13-11-16(25)24-18(20-13)27-19(22-24)23-10-6-7-14(12-23)17(26)21-15-8-4-2-3-5-9-15/h11,14-15H,2-10,12H2,1H3,(H,21,26)
InChIKeyLZEWAGHLUXIWRO-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.51
Rot. Bonds3

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

N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 20893006) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID20893006
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)NC4CCCCCC4)C3)sc2n1
InChIInChI=1S/C19H27N5O2S/c1-13-11-16(25)24-18(20-13)27-19(22-24)23-10-6-7-14(12-23)17(26)21-15-8-4-2-3-5-9-15/h11,14-15H,2-10,12H2,1H3,(H,21,26)
InChIKeyLZEWAGHLUXIWRO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (CID 20893006) is N-cycloheptyl-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-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-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)NC4CCCCCC4)C3)sc2n1.
What is the InChIKey of N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is LZEWAGHLUXIWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13-11-16(25)24-18(20-13)27-19(22-24)23-10-6-7-14(12-23)17(26)21-15-8-4-2-3-5-9-15/h11,14-15H,2-10,12H2,1H3,(H,21,26).
What are the key properties of N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20893006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).