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

C16H22N4O2S — CID 90508333

IUPAC1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)C3CCCN(C)C3)csc2n1
InChIInChI=1S/C16H22N4O2S/c1-11-8-14(21)20-13(10-23-16(20)18-11)5-6-17-15(22)12-4-3-7-19(2)9-12/h8,10,12H,3-7,9H2,1-2H3,(H,17,22)
InChIKeyIFHISWOWPPJJSN-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.06
Rot. Bonds4

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

1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 90508333) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID90508333
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)C3CCCN(C)C3)csc2n1
InChIInChI=1S/C16H22N4O2S/c1-11-8-14(21)20-13(10-23-16(20)18-11)5-6-17-15(22)12-4-3-7-19(2)9-12/h8,10,12H,3-7,9H2,1-2H3,(H,17,22)
InChIKeyIFHISWOWPPJJSN-UHFFFAOYSA-N
XLogP1.06
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide (CID 90508333) is 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide is Cc1cc(=O)n2c(CCNC(=O)C3CCCN(C)C3)csc2n1.
What is the InChIKey of 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is IFHISWOWPPJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-8-14(21)20-13(10-23-16(20)18-11)5-6-17-15(22)12-4-3-7-19(2)9-12/h8,10,12H,3-7,9H2,1-2H3,(H,17,22).
What are the key properties of 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide?
1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 90508333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).