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

C15H18N6OS — CID 70778606

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCn1cnnc1CC1CCN(C(=O)c2cn3ccsc3n2)CC1
InChIInChI=1S/C15H18N6OS/c1-19-10-16-18-13(19)8-11-2-4-20(5-3-11)14(22)12-9-21-6-7-23-15(21)17-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyUCWGFQVFUASVLR-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.62
Rot. Bonds3

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

imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 70778606) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID70778606
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCn1cnnc1CC1CCN(C(=O)c2cn3ccsc3n2)CC1
InChIInChI=1S/C15H18N6OS/c1-19-10-16-18-13(19)8-11-2-4-20(5-3-11)14(22)12-9-21-6-7-23-15(21)17-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyUCWGFQVFUASVLR-UHFFFAOYSA-N
XLogP1.62
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70716645
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-N-methylimidazo[2,1-B][1,3]thiazole-6-carboxamide
CID 70787077
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidine
CID 72908907
[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 92564314
N-methyl-1-(1-methyl-1H-imidazol-2-yl)-N-{[6-(piperidin-1-ylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}methanamine
CID 56874421
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70715798
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidine
CID 72916851
N-{cis-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 91771432
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 91783314
2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 131922292
N-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 132415582
N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002229

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 70778606) is imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is Cn1cnnc1CC1CCN(C(=O)c2cn3ccsc3n2)CC1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is UCWGFQVFUASVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-19-10-16-18-13(19)8-11-2-4-20(5-3-11)14(22)12-9-21-6-7-23-15(21)17-12/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 330.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70778606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).