propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate

C21H26N4O3S — CID 131999234

IUPACpropan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate
SMILESCc1ccc(OCc2cn3nc(C4CCN(C(=O)OC(C)C)CC4)sc3n2)cc1
InChIInChI=1S/C21H26N4O3S/c1-14(2)28-21(26)24-10-8-16(9-11-24)19-23-25-12-17(22-20(25)29-19)13-27-18-6-4-15(3)5-7-18/h4-7,12,14,16H,8-11,13H2,1-3H3
InChIKeyGHRAMDLYORJNOR-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.40
Rot. Bonds5

About propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate

propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate (PubChem CID 131999234) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate
PubChem CID131999234
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Namepropan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate
SMILESCc1ccc(OCc2cn3nc(C4CCN(C(=O)OC(C)C)CC4)sc3n2)cc1
InChIInChI=1S/C21H26N4O3S/c1-14(2)28-21(26)24-10-8-16(9-11-24)19-23-25-12-17(22-20(25)29-19)13-27-18-6-4-15(3)5-7-18/h4-7,12,14,16H,8-11,13H2,1-3H3
InChIKeyGHRAMDLYORJNOR-UHFFFAOYSA-N
XLogP4.40
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 131988194
propan-2-yl 4-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
CID 71263395
tert-butyl 4-[4-[(4-ethoxycarbonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25026904
methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
CID 25025307
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
tert-butyl 4-[4-[(4-acetamidophenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25024137
tert-butyl 4-[4-[(4-phenylmethoxyphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25027098
N-[3-[(2-cyclohexyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-4-methylbenzamide
CID 46258496
methyl 2-[4-[4-[[4-(hydrazinylmethylideneamino)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoacetate
CID 143718410
ethyl 4-[1-[6-(2-fluoro-4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate
CID 163690642
N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 25025310
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31612187

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate (CID 131999234) is propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate is Cc1ccc(OCc2cn3nc(C4CCN(C(=O)OC(C)C)CC4)sc3n2)cc1.
What is the InChIKey of propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is GHRAMDLYORJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-14(2)28-21(26)24-10-8-16(9-11-24)19-23-25-12-17(22-20(25)29-19)13-27-18-6-4-15(3)5-7-18/h4-7,12,14,16H,8-11,13H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate?
propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 414.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 131999234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).