1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one

C18H20N4O2S — CID 46956108

IUPAC1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c2sccn12
InChIInChI=1S/C18H20N4O2S/c1-12-19-16(18-22(12)9-10-25-18)13-5-7-21(8-6-13)17(24)14-3-4-15(23)20(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyKDTVBNALCVKDER-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.42
Rot. Bonds2

About 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one

1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 46956108) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID46956108
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c2sccn12
InChIInChI=1S/C18H20N4O2S/c1-12-19-16(18-22(12)9-10-25-18)13-5-7-21(8-6-13)17(24)14-3-4-15(23)20(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyKDTVBNALCVKDER-UHFFFAOYSA-N
XLogP2.42
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one (CID 46956108) is 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one is Cc1nc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c2sccn12.
What is the InChIKey of 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is KDTVBNALCVKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-19-16(18-22(12)9-10-25-18)13-5-7-21(8-6-13)17(24)14-3-4-15(23)20(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 46956108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).