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

C16H22N4O2S — CID 46405985

IUPACN,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCc1csc2nc(CN3CCC(C(=O)N(C)C)CC3)cc(=O)n12
InChIInChI=1S/C16H22N4O2S/c1-11-10-23-16-17-13(8-14(21)20(11)16)9-19-6-4-12(5-7-19)15(22)18(2)3/h8,10,12H,4-7,9H2,1-3H3
InChIKeyCUDVQPCRGZJTIA-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.36
Rot. Bonds3

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

N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 46405985) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
PubChem CID46405985
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCc1csc2nc(CN3CCC(C(=O)N(C)C)CC3)cc(=O)n12
InChIInChI=1S/C16H22N4O2S/c1-11-10-23-16-17-13(8-14(21)20(11)16)9-19-6-4-12(5-7-19)15(22)18(2)3/h8,10,12H,4-7,9H2,1-3H3
InChIKeyCUDVQPCRGZJTIA-UHFFFAOYSA-N
XLogP1.36
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (CID 46405985) is N,N-dimethyl-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,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is Cc1csc2nc(CN3CCC(C(=O)N(C)C)CC3)cc(=O)n12.
What is the InChIKey of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CUDVQPCRGZJTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-10-23-16-17-13(8-14(21)20(11)16)9-19-6-4-12(5-7-19)15(22)18(2)3/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46405985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).