2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C17H23N5OS — CID 118771094

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC2CCN(C(=O)CC3=CSC4=NCCN34)CC2)c1
InChIInChI=1S/C17H23N5OS/c1-13-9-19-21(10-13)11-14-2-5-20(6-3-14)16(23)8-15-12-24-17-18-4-7-22(15)17/h9-10,12,14H,2-8,11H2,1H3
InChIKeyONFOCWJYOLLCBQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.08
Rot. Bonds4

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 118771094) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID118771094
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC2CCN(C(=O)CC3=CSC4=NCCN34)CC2)c1
InChIInChI=1S/C17H23N5OS/c1-13-9-19-21(10-13)11-14-2-5-20(6-3-14)16(23)8-15-12-24-17-18-4-7-22(15)17/h9-10,12,14H,2-8,11H2,1H3
InChIKeyONFOCWJYOLLCBQ-UHFFFAOYSA-N
XLogP2.08
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 118771293
(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 98260827
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 72903039
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72866375
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
CID 108810064
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137337511
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone
CID 70765016

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 118771094) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1cnn(CC2CCN(C(=O)CC3=CSC4=NCCN34)CC2)c1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is ONFOCWJYOLLCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-9-19-21(10-13)11-14-2-5-20(6-3-14)16(23)8-15-12-24-17-18-4-7-22(15)17/h9-10,12,14H,2-8,11H2,1H3.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118771094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).