(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C17H19N5O2S — CID 92564313

IUPAC(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCOc1ncc(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cn1
InChIInChI=1S/C17H19N5O2S/c1-11-20-14(16-22(11)7-8-25-16)12-3-5-21(6-4-12)15(23)13-9-18-17(24-2)19-10-13/h7-10,12H,3-6H2,1-2H3
InChIKeyAABSTWCOLWSFRA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.52
Rot. Bonds3

About (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 92564313) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID92564313
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCOc1ncc(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cn1
InChIInChI=1S/C17H19N5O2S/c1-11-20-14(16-22(11)7-8-25-16)12-3-5-21(6-4-12)15(23)13-9-18-17(24-2)19-10-13/h7-10,12H,3-6H2,1-2H3
InChIKeyAABSTWCOLWSFRA-UHFFFAOYSA-N
XLogP2.52
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 92564313) is (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is COc1ncc(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is AABSTWCOLWSFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-20-14(16-22(11)7-8-25-16)12-3-5-21(6-4-12)15(23)13-9-18-17(24-2)19-10-13/h7-10,12H,3-6H2,1-2H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).