tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate

C18H26N4O3S — CID 99815197

IUPACtert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cc2csc3nccn23)C1
InChIInChI=1S/C18H26N4O3S/c1-18(2,3)25-17(24)20(4)13-6-5-8-21(11-13)15(23)10-14-12-26-16-19-7-9-22(14)16/h7,9,12-13H,5-6,8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyJENPHWRAIJHQFZ-ZDUSSCGKSA-N
MW378.50 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate (PubChem CID 99815197) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate
PubChem CID99815197
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Nametert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cc2csc3nccn23)C1
InChIInChI=1S/C18H26N4O3S/c1-18(2,3)25-17(24)20(4)13-6-5-8-21(11-13)15(23)10-14-12-26-16-19-7-9-22(14)16/h7,9,12-13H,5-6,8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyJENPHWRAIJHQFZ-ZDUSSCGKSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate with MolForge

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Related Compounds

2-(2-Methyl-1,3-thiazol-4-yl)-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53618407
1-[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-3-ylethanone
CID 166280856
1-[2-(4-Tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 72124209
tert-butyl (2R)-2-imidazo[2,1-b][1,3]thiazol-3-ylpyrrolidine-1-carboxylate
CID 57985476
5-(Tert-butoxycarbonylamino)methylimidazo[5,1-b]thiazole-3-carboxyamide
CID 131720154
Tert-butyl 4-[[3-(2-aminoprop-2-enyl)imidazo[2,1-b][1,3]thiazol-6-yl]methyl]piperazine-1-carboxylate;ethane;prop-1-ene
CID 143409245
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone
CID 29262051
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]acetamide
CID 31016301
Tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
CID 31121959
Ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate
CID 31843825
1-(4-Acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 34839065
Ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
CID 35508703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate (CID 99815197) is tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cc2csc3nccn23)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate?
The InChIKey is JENPHWRAIJHQFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-18(2,3)25-17(24)20(4)13-6-5-8-21(11-13)15(23)10-14-12-26-16-19-7-9-22(14)16/h7,9,12-13H,5-6,8,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate has a molecular weight of 378.50 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 99815197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).