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

C16H19N5OS — CID 92564312

IUPAC[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1nc(C2CCN(C(=O)c3ccnn3C)CC2)c2sccn12
InChIInChI=1S/C16H19N5OS/c1-11-18-14(16-21(11)9-10-23-16)12-4-7-20(8-5-12)15(22)13-3-6-17-19(13)2/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyDDGQLVRBCYEIFB-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.46
Rot. Bonds2

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

[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 92564312) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID92564312
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1nc(C2CCN(C(=O)c3ccnn3C)CC2)c2sccn12
InChIInChI=1S/C16H19N5OS/c1-11-18-14(16-21(11)9-10-23-16)12-4-7-20(8-5-12)15(22)13-3-6-17-19(13)2/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyDDGQLVRBCYEIFB-UHFFFAOYSA-N
XLogP2.46
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 92564312) is [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cc1nc(C2CCN(C(=O)c3ccnn3C)CC2)c2sccn12.
What is the InChIKey of [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is DDGQLVRBCYEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-18-14(16-21(11)9-10-23-16)12-4-7-20(8-5-12)15(22)13-3-6-17-19(13)2/h3,6,9-10,12H,4-5,7-8H2,1-2H3.
What are the key properties of [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 329.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 92564312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).