N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H22N6OS — CID 142415507

IUPACN-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc(C)nc4nccn34)C2)s1
InChIInChI=1S/C18H22N6OS/c1-12-8-16(24-7-5-19-17(24)21-12)14-4-3-6-23(10-14)11-15-9-20-18(26-15)22-13(2)25/h5,7-9,14H,3-4,6,10-11H2,1-2H3,(H,20,22,25)
InChIKeyCQQMVGIXGACIJL-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.83
Rot. Bonds4

About N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415507) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415507
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc(C)nc4nccn34)C2)s1
InChIInChI=1S/C18H22N6OS/c1-12-8-16(24-7-5-19-17(24)21-12)14-4-3-6-23(10-14)11-15-9-20-18(26-15)22-13(2)25/h5,7-9,14H,3-4,6,10-11H2,1-2H3,(H,20,22,25)
InChIKeyCQQMVGIXGACIJL-UHFFFAOYSA-N
XLogP2.83
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415507) is N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cc(C)nc4nccn34)C2)s1.
What is the InChIKey of N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CQQMVGIXGACIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12-8-16(24-7-5-19-17(24)21-12)14-4-3-6-23(10-14)11-15-9-20-18(26-15)22-13(2)25/h5,7-9,14H,3-4,6,10-11H2,1-2H3,(H,20,22,25).
What are the key properties of N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).