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

C19H28N4O2S — CID 47057142

IUPACN-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C19H28N4O2S/c1-4-5-8-21(3)18(25)15-6-9-22(10-7-15)12-16-11-17(24)23-14(2)13-26-19(23)20-16/h11,13,15H,4-10,12H2,1-3H3
InChIKeyTUWILROZTMTPDB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.53
Rot. Bonds6

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

N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 47057142) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
PubChem CID47057142
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C19H28N4O2S/c1-4-5-8-21(3)18(25)15-6-9-22(10-7-15)12-16-11-17(24)23-14(2)13-26-19(23)20-16/h11,13,15H,4-10,12H2,1-3H3
InChIKeyTUWILROZTMTPDB-UHFFFAOYSA-N
XLogP2.53
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (CID 47057142) is N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The InChIKey is TUWILROZTMTPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-4-5-8-21(3)18(25)15-6-9-22(10-7-15)12-16-11-17(24)23-14(2)13-26-19(23)20-16/h11,13,15H,4-10,12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47057142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).