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

C17H22N4O3S — CID 90508330

IUPAC1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2csc3nc(C)cc(=O)n23)CC1
InChIInChI=1S/C17H22N4O3S/c1-11-9-15(23)21-14(10-25-17(21)19-11)3-6-18-16(24)13-4-7-20(8-5-13)12(2)22/h9-10,13H,3-8H2,1-2H3,(H,18,24)
InChIKeyKJLBKCZNJWQTSD-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.98
Rot. Bonds4

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

1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 90508330) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID90508330
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2csc3nc(C)cc(=O)n23)CC1
InChIInChI=1S/C17H22N4O3S/c1-11-9-15(23)21-14(10-25-17(21)19-11)3-6-18-16(24)13-4-7-20(8-5-13)12(2)22/h9-10,13H,3-8H2,1-2H3,(H,18,24)
InChIKeyKJLBKCZNJWQTSD-UHFFFAOYSA-N
XLogP0.98
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide (CID 90508330) is 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2csc3nc(C)cc(=O)n23)CC1.
What is the InChIKey of 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KJLBKCZNJWQTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-9-15(23)21-14(10-25-17(21)19-11)3-6-18-16(24)13-4-7-20(8-5-13)12(2)22/h9-10,13H,3-8H2,1-2H3,(H,18,24).
What are the key properties of 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90508330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).