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

C17H24N4O2S — CID 47055648

IUPACN-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)19-15(23)12-4-6-20(7-5-12)11-13-10-14(22)21-8-9-24-16(21)18-13/h8-10,12H,4-7,11H2,1-3H3,(H,19,23)
InChIKeyMTBUKKKLSVAYKN-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.88
Rot. Bonds3

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

N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 47055648) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
PubChem CID47055648
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)19-15(23)12-4-6-20(7-5-12)11-13-10-14(22)21-8-9-24-16(21)18-13/h8-10,12H,4-7,11H2,1-3H3,(H,19,23)
InChIKeyMTBUKKKLSVAYKN-UHFFFAOYSA-N
XLogP1.88
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (CID 47055648) is N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MTBUKKKLSVAYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2,3)19-15(23)12-4-6-20(7-5-12)11-13-10-14(22)21-8-9-24-16(21)18-13/h8-10,12H,4-7,11H2,1-3H3,(H,19,23).
What are the key properties of N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47055648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).