2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone

C17H21N5OS — CID 96577359

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C17H21N5OS/c23-16(12-14-13-20-10-11-24-17(20)19-14)22-8-2-1-4-15(22)5-9-21-7-3-6-18-21/h3,6-7,10-11,13,15H,1-2,4-5,8-9,12H2/t15-/m1/s1
InChIKeyQGSMYRJBYZMSQQ-OAHLLOKOSA-N
MW343.46 g/mol
LogP2.61
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 96577359) 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-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID96577359
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C17H21N5OS/c23-16(12-14-13-20-10-11-24-17(20)19-14)22-8-2-1-4-15(22)5-9-21-7-3-6-18-21/h3,6-7,10-11,13,15H,1-2,4-5,8-9,12H2/t15-/m1/s1
InChIKeyQGSMYRJBYZMSQQ-OAHLLOKOSA-N
XLogP2.61
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607609
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94616471
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 70729152
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95346977
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
CID 97221750
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 56780016

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone (CID 96577359) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone is O=C(Cc1cn2ccsc2n1)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is QGSMYRJBYZMSQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-16(12-14-13-20-10-11-24-17(20)19-14)22-8-2-1-4-15(22)5-9-21-7-3-6-18-21/h3,6-7,10-11,13,15H,1-2,4-5,8-9,12H2/t15-/m1/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 343.46 g/mol, XLogP of 2.61, 5 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-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 96577359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).