2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C17H21N5OS — CID 56780175

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCCN2C(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C17H21N5OS/c1-13-9-18-21(10-13)12-15-4-2-3-5-22(15)16(23)8-14-11-20-6-7-24-17(20)19-14/h6-7,9-11,15H,2-5,8,12H2,1H3
InChIKeyJUIJQFNCMPZRON-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.52
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 56780175) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID56780175
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCCN2C(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C17H21N5OS/c1-13-9-18-21(10-13)12-15-4-2-3-5-22(15)16(23)8-14-11-20-6-7-24-17(20)19-14/h6-7,9-11,15H,2-5,8,12H2,1H3
InChIKeyJUIJQFNCMPZRON-UHFFFAOYSA-N
XLogP2.52
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 56780175) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1cnn(CC2CCCCN2C(=O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is JUIJQFNCMPZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-13-9-18-21(10-13)12-15-4-2-3-5-22(15)16(23)8-14-11-20-6-7-24-17(20)19-14/h6-7,9-11,15H,2-5,8,12H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 343.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56780175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).