[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C18H20N4OS — CID 110110222

IUPAC[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc(C2(C)CCN(C(=O)c3ccccn3)CC2)c2sccn12
InChIInChI=1S/C18H20N4OS/c1-13-20-15(17-22(13)11-12-24-17)18(2)6-9-21(10-7-18)16(23)14-5-3-4-8-19-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyLODFWYBBNHTZRC-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.29
Rot. Bonds2

About [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110110222) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110110222
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc(C2(C)CCN(C(=O)c3ccccn3)CC2)c2sccn12
InChIInChI=1S/C18H20N4OS/c1-13-20-15(17-22(13)11-12-24-17)18(2)6-9-21(10-7-18)16(23)14-5-3-4-8-19-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyLODFWYBBNHTZRC-UHFFFAOYSA-N
XLogP3.29
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 110110222) is [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone is Cc1nc(C2(C)CCN(C(=O)c3ccccn3)CC2)c2sccn12.
What is the InChIKey of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is LODFWYBBNHTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-20-15(17-22(13)11-12-24-17)18(2)6-9-21(10-7-18)16(23)14-5-3-4-8-19-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110110222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).